Mercurial > repos > ufz > dfpl_predict
comparison test-data/S_dataset.csv @ 0:8956e949d466 draft default tip
planemo upload for repository https://github.com/Helmholtz-UFZ/galaxy-tools/tree/main/tools/dfpl commit 66c6acfeff5441c36fba97787ddc5ee3d6a4a6ec
| author | ufz |
|---|---|
| date | Thu, 19 Dec 2024 12:51:08 +0000 |
| parents | |
| children |
comparison
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| -1:000000000000 | 0:8956e949d466 |
|---|---|
| 1 smiles,AR,ER,GR,Aromatase,TR,PPARg,ED | |
| 2 CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C,1,1,1,1,1,1,1 | |
| 3 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2=O,1,1,1,1,1,0,1 | |
| 4 CC12CCC3C(CCc4cc(O)ccc34)C1CCC2O,1,1,1,0,1,1,1 | |
| 5 Oc1c(Br)cc(cc1Br)C#N,1,1,1,0,1,1,1 | |
| 6 Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1,1,1,1,1,0,1,1 | |
| 7 Oc1ccc(cc1)c2ccccc2,1,1,0,1,1,1,1 | |
| 8 CC(=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)C,1,1,0,1,0,1,1 | |
| 9 CC(=O)OCC(=O)C1(O)C(CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)OC(=O)C,1,1,1,1,0,0,1 | |
| 10 CC(=O)OCC(=O)C12N=C(C)OC1CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC23C,1,1,1,1,0,0,1 | |
| 11 CC(C)(C)C(=O)OCOC(=O)C1N2C(CC2=O)S(=O)(=O)C1(C)C,1,1,1,0,0,1,1 | |
| 12 CC(C)(c1cc(Cl)c(O)c(Cl)c1)c2cc(Cl)c(O)c(Cl)c2,0,1,1,0,1,1,1 | |
| 13 CC1(C)OC2CC3C4CC(F)C5=CC(=O)CCC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO,1,1,1,1,0,0,1 | |
| 14 CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)CO,1,1,1,1,0,0,1 | |
| 15 CC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC4(O)C#C,1,1,1,0,1,0,1 | |
| 16 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,1,1,1,1,0,0,1 | |
| 17 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)C)C(=O)COC(=O)C,1,1,1,1,0,0,1 | |
| 18 CC1CC2C3CCC(O)(C(=O)CO)C3(C)CC(O)C2C4(C)C=CC(=O)C=C14,1,1,1,1,0,0,1 | |
| 19 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,1,1,1,1,0,0,1 | |
| 20 CCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)CCl,1,1,1,1,0,0,1 | |
| 21 CCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO,1,1,1,1,0,0,1 | |
| 22 CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1,1,1,0,1,0,1,1 | |
| 23 CC[N+](CC)(CC)CCOc1ccc(C=Cc2ccccc2)cc1,1,1,0,1,1,0,1 | |
| 24 O=C(Oc1ccccc1)c2cccc(c2)C(=O)Oc3ccccc3,1,1,0,1,1,0,1 | |
| 25 SCC(=O)OCCOC(=O)CS,1,0,1,1,1,0,1 | |
| 26 C(CSc1ccccc1)Sc2ccccc2,1,1,0,1,0,0,1 | |
| 27 CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,0,1,0,1,0,1 | |
| 28 CC12CCC3C(CCC4=C(O)C(=O)CCC34C)C1CCC2=O,1,1,0,1,0,0,1 | |
| 29 CCn1c2ccccc2c3cc(ccc13)[N+](=O)[O-],1,0,1,0,0,1,1 | |
| 30 COC(=O)Nc1nc2cc(ccc2[nH]1)S(=O)c3ccccc3,1,1,0,0,1,0,1 | |
| 31 Cc1ccc(O)c(c1)n2nc3ccccc3n2,1,1,0,1,0,0,1 | |
| 32 NNc1ccc(cc1)C(=O)O,1,1,0,1,0,0,1 | |
| 33 Nc1c2CCCCc2nc3ccccc13,1,1,0,0,1,0,1 | |
| 34 Nc1ccc2ccccc2c1,1,1,0,1,0,0,1 | |
| 35 Oc1ccc(cc1)C(=O)Oc2ccccc2,1,1,0,1,0,0,1 | |
| 36 [O-][N+](=Nc1ccccc1)c2ccccc2,1,1,0,1,0,0,1 | |
| 37 c1ccc(cc1)c2ccc(cc2)c3ccccc3,1,1,0,1,0,0,1 | |
| 38 o1cccc1c2nc3ccccc3[nH]2,1,1,0,1,0,0,1 | |
| 39 CCOC(=O)C(=C(c1ccccc1)c2ccccc2)C#N,1,1,0,0,0,0,1 | |
| 40 Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc2ccc(O)c3CCCc23,0,0,0,1,1,0,1 | |
| 41 FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O,1,0,0,0,0,1,1 | |
| 42 c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56,1,0,1,0,0,0,1 | |
| 43 CC(=O)CC(C1=C(O)Oc2ccccc2C1=O)c3ccccc3,0,0,0,0,0,1,1 | |
| 44 CC(=O)Oc1ccc(cc1CCl)[N+](=O)[O-],0,1,0,0,0,0,1 | |
| 45 CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N,0,0,0,1,0,0,1 | |
| 46 CC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1,0,0,0,0,0,1,1 | |
| 47 CC(C)CC(C)CC(C)CC(C)COC(=O)c1ccccc1C(=O)OCC(C)CC(C)CC(C)CC(C)C,1,0,0,0,0,0,1 | |
| 48 CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O,0,0,1,0,0,0,1 | |
| 49 CC1=CC(=O)Oc2c(C)c3oc(C)cc3cc12,0,1,0,0,0,0,1 | |
| 50 CC1=CC(C)(C)Nc2ccccc12,0,0,0,0,1,0,1 | |
| 51 CCC(=O)OCCC(C)CCC=C(C)C,0,1,0,0,0,0,1 | |
| 52 CCCCCC1=CC=CC(=O)O1,0,0,0,0,0,1,1 | |
| 53 CCCCCC=CCC=CCCCCCCCC(=O)OCC,0,0,0,0,0,1,1 | |
| 54 CCCCCCCCCOCC1CO1,0,0,0,1,0,0,1 | |
| 55 CCCNC(C)(C)COC(=O)c1ccccc1,0,0,0,0,0,1,1 | |
| 56 CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc2ccc(OC)cc2,0,0,0,0,1,0,1 | |
| 57 CCOC(=O)C(C)(N)Cc1ccc(O)c(O)c1,0,0,0,1,0,0,1 | |
| 58 CCOP(=S)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C,1,0,0,0,0,0,1 | |
| 59 COC1C(OC(=O)N)C(O)C(Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)O)OC1(C)C,0,0,0,0,0,1,1 | |
| 60 COc1c2OC(=O)C=Cc2cc3ccoc13,0,0,0,1,0,0,1 | |
| 61 COc1ccc(cc1)S(=O)(=O)Nc2nnc(CC(C)C)s2,0,0,0,0,0,1,1 | |
| 62 Cc1nc(oc1COC(C)(C)C(=O)O)c2ccc(Cl)cc2,0,0,0,0,0,1,1 | |
| 63 FC(Cl)(Cl)Cl,1,0,0,0,0,0,1 | |
| 64 Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-],0,0,0,1,0,0,1 | |
| 65 Nc1ccc(Oc2ccc(N)cc2)cc1,0,0,0,1,0,0,1 | |
| 66 O=C1CCc2cc(OCCCCc3nnnn3C4CCCCC4)ccc2N1,0,1,0,0,0,0,1 | |
| 67 OC(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3,0,0,0,0,0,1,1 | |
| 68 OC(=O)Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1,0,0,0,0,0,1,1 | |
| 69 OC(=O)Cc1ccc(cc1)c2ccccc2,0,0,0,0,0,1,1 | |
| 70 OC(Cn1cncn1)(c2ccc(F)cc2)c3ccccc3F,0,0,0,1,0,0,1 | |
| 71 Oc1cccc2ccccc12,0,1,0,0,0,0,1 | |
| 72 Oc1nc2ccccc2n1C3=CCN(CCCC(=O)c4ccc(F)cc4)CC3,0,1,0,0,0,0,1 | |
| 73 [O-][N+](=O)c1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1,1,0,0,0,0,0,1 | |
| 74 [O-][N+](=O)c1cccc(c1)[N+](=O)[O-],0,1,0,0,0,0,1 | |
| 75 CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2,1,1,1,1,1,1,1 | |
| 76 COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC6CC(OC7CC(OC8CC(C)(O)C(O)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)C(O)C(C)O,1,1,1,1,1,1,1 | |
| 77 Nc1ccc2cc3ccc(N)cc3nc2c1,1,1,1,1,1,1,1 | |
| 78 Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3,1,1,1,1,1,1,1 | |
| 79 OC(c1ccc(Cl)cc1)(c2cncnc2)c3ccccc3Cl,1,1,1,1,1,1,1 | |
| 80 Oc1ccc(cc1)C(=C(Cl)Cl)c2ccc(O)cc2,1,1,1,1,1,1,1 | |
| 81 c1csc(c1)c2ccc(s2)c3cccs3,1,1,1,1,1,1,1 | |
| 82 CC(=C)C(=O)Nc1ccc(Cl)c(Cl)c1,1,1,0,1,1,1,1 | |
| 83 CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC23C,1,1,1,1,0,1,1 | |
| 84 CC(C)(c1ccc(O)cc1)c2ccc(O)cc2,1,1,1,0,1,1,1 | |
| 85 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O,1,1,1,1,1,0,1 | |
| 86 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2O,1,1,1,1,1,0,1 | |
| 87 CC12CCC3C(CCC4CC(=O)CCC34C)C1CCC2O,1,1,1,1,1,0,1 | |
| 88 CC1CC2C(CCC3(C)C2CCC3(OC(=O)C)C(=O)C)C4(C)CCC(=O)C=C14,1,1,1,1,1,0,1 | |
| 89 CC1CC2C3CC(F)C4=CC(=O)C(=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO)Cl,1,1,1,1,1,0,1 | |
| 90 CC1SC2=C(C(=O)O)C(=O)c3cc(F)c(cc3N12)N4CCN(CC5=C(C)OC(=O)O5)CC4,1,1,1,1,1,0,1 | |
| 91 CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO,1,1,1,1,1,0,1 | |
| 92 COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1,1,1,1,1,1,0,1 | |
| 93 COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O,1,1,0,1,1,1,1 | |
| 94 COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1,1,1,1,1,1,0,1 | |
| 95 Clc1ccc2N(CC3CC3)C(=O)CN=C(c4ccccc4)c2c1,1,1,1,0,1,1,1 | |
| 96 Nc1nc2ccc(OC(F)(F)F)cc2s1,1,1,1,1,1,0,1 | |
| 97 O=C(C=CC=Cc1ccc2OCOc2c1)N3CCCCC3,1,1,0,1,1,1,1 | |
| 98 O=C1CCCc2c1cc3ccc4cccc5ccc2c3c45,1,1,1,1,0,1,1 | |
| 99 CC(=O)Nc1ccc2c(Cc3ccccc23)c1,1,1,1,1,0,0,1 | |
| 100 CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,1,1,1,1,0,0,1 | |
| 101 CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C,1,1,1,1,0,0,1 | |
| 102 CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C,1,1,1,1,0,0,1 | |
| 103 CC(C)COc1ccc(cc1C#N)c2nc(C)c(s2)C(=O)O,1,1,0,1,1,0,1 | |
| 104 CC(C)N(C(=O)COc1nnc(s1)C(F)(F)F)c2ccc(F)cc2,1,0,1,0,1,1,1 | |
| 105 CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO,1,1,1,1,0,0,1 | |
| 106 CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)OCOC(=O)C4N5C(CC5=O)S(=O)(=O)C4(C)C,1,1,1,0,0,1,1 | |
| 107 CC1(Cn2ccnn2)C(N3C(CC3=O)S1(=O)=O)C(=O)O,1,1,1,0,0,1,1 | |
| 108 CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,1,1,0,1,0,1 | |
| 109 CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(O)CC=C,1,1,1,0,1,0,1 | |
| 110 CC12CC(O)C3(F)C(CCC4=CC(=O)C=CC34C)C1CC(O)C2(O)C(=O)CO,1,1,1,1,0,0,1 | |
| 111 CC12CC(O)C3(F)C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO,1,1,1,1,0,0,1 | |
| 112 CC12CC(O)C3C(CC(F)C4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO,1,1,1,1,0,0,1 | |
| 113 CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO,1,1,1,1,0,0,1 | |
| 114 CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C23,1,1,1,1,0,0,1 | |
| 115 CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)COC(=O)CCC(=O)O)C4(C)CC(O)C23,1,1,1,1,0,0,1 | |
| 116 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2O,1,1,1,1,0,0,1 | |
| 117 CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C,1,1,1,0,1,0,1 | |
| 118 CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O,1,1,1,0,1,0,1 | |
| 119 CC12CCC3C(CCc4cc(O)ccc34)C1CCC2(O)C#C,1,1,1,0,1,0,1 | |
| 120 CC12CCC3C(CCc4cc(O)ccc34)C1CCC2=O,1,1,1,1,0,0,1 | |
| 121 CC1=C(C)S(=O)(=O)CCS1(=O)=O,1,0,0,1,1,1,1 | |
| 122 CC1CC2C3CCC(C(=O)C)C3(C)CC(O)C2C4(C)CCC(=O)C=C14,1,1,1,1,0,0,1 | |
| 123 CC1CC2C3CCC(O)(C(=O)C)C3(C)CC(O)C2(F)C4(C)C=CC(=O)C=C14,1,1,1,1,0,0,1 | |
| 124 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C,1,1,1,1,0,0,1 | |
| 125 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(=O)(O)O,1,1,1,1,0,0,1 | |
| 126 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)CO,1,1,1,1,0,0,1 | |
| 127 CCC(=O)OC1(C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)SCF,1,1,1,1,0,0,1 | |
| 128 CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,1,1,1,0,0,1 | |
| 129 CCC(Cl)CC(Cl)C(Cl)C(Cl)C(Cl)C(C)Cl,1,1,0,1,1,0,1 | |
| 130 CCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(O)C#C,1,1,1,0,1,0,1 | |
| 131 CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C)C1O,1,1,1,0,1,0,1 | |
| 132 CCCC(=O)OCC(OC(=O)CCC)C(OC(=O)CCC)C(CN1C2=NC(=O)NC(=O)C2=Nc3cc(C)c(C)cc13)OC(=O)CCC,1,1,1,0,1,0,1 | |
| 133 CCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO,1,1,1,1,0,0,1 | |
| 134 CCCCCCCCCCCCCCCCCCOCC(O)CO,1,1,1,1,0,0,1 | |
| 135 CCCCCCCCCCCCCCCCn1cc[n+](C)c1,1,1,0,1,1,0,1 | |
| 136 CCCCCCCCCCCCn1cc[n+](C)c1,1,1,0,1,1,0,1 | |
| 137 CCCCOC(=O)c1ccc(O)cc1,1,1,0,1,0,1,1 | |
| 138 CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],1,1,0,0,1,1,1 | |
| 139 CN(C)c1ccc(cc1)C2(OC(=O)c3cc(ccc23)N(C)C)c4ccc(cc4)N(C)C,1,1,1,0,0,1,1 | |
| 140 COC(=O)C1(C)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C,1,1,1,1,0,0,1 | |
| 141 CON(C)C(=O)Nc1ccc(Br)c(Cl)c1,1,1,0,1,1,0,1 | |
| 142 CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1,1,1,0,1,1,0,1 | |
| 143 COc1ccc(C=CS(=O)(=O)NC(=O)c2ccc(C)cc2Cl)cc1,1,1,1,0,0,1,1 | |
| 144 Clc1ccc(cc1)N=C=O,1,1,1,1,0,0,1 | |
| 145 Clc1ccccc1c2onc(n2)c3ccncc3,1,1,1,1,0,0,1 | |
| 146 Cn1cnc(c1Sc2[nH]cnc3ncnc23)[N+](=O)[O-],1,1,1,1,0,0,1 | |
| 147 NC(=O)N(O)C1COc2cc(OCc3ccccc3)ccc12,1,1,0,1,1,0,1 | |
| 148 NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,0,1,1,0,1,1,1 | |
| 149 O=C1C=C(Oc2ccccc12)c3ccccc3,1,1,1,1,0,0,1 | |
| 150 Oc1c(ccc2ccccc12)C(=O)Oc3ccccc3,1,1,0,1,1,0,1 | |
| 151 Oc1cccc(Nc2ccccc2)c1,1,1,0,1,0,1,1 | |
| 152 c1ccc2cc3c(ccc4ccccc34)cc2c1,1,1,0,1,1,0,1 | |
| 153 CC(=C(CCOP(=O)(O)O)SC(=O)c1ccccc1)N(Cc2cnc(C)nc2N)C=O,1,0,1,1,0,0,1 | |
| 154 CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-],1,1,0,0,1,0,1 | |
| 155 CC(C)CCOC(=O)c1ccc(cc1)N(C)C,1,1,0,1,0,0,1 | |
| 156 CC(C)c1ccc(NC(=O)N(C)C)cc1,1,1,0,1,0,0,1 | |
| 157 CC(C)c1ccc2Sc3ccccc3C(=O)c2c1,1,1,0,1,0,0,1 | |
| 158 CC(COc1ccc(Oc2ccccc2)cc1)Oc3ccccn3,1,1,0,1,0,0,1 | |
| 159 CC1(C)NC(=O)N(C1=O)c2ccc(c(c2)C(F)(F)F)[N+](=O)[O-],1,1,0,0,1,0,1 | |
| 160 CC12CCC3C(CCC45OC4C(=C(CC35C)C#N)O)C1CCC2O,1,0,1,1,0,0,1 | |
| 161 CC1=C(SCCO1)C(=O)Nc2ccccc2,1,1,0,1,0,0,1 | |
| 162 CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O,0,1,1,0,0,1,1 | |
| 163 CCCCC(CC)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC,1,0,1,1,0,0,1 | |
| 164 CCCCCCn1cc[n+](C)c1,1,1,0,0,1,0,1 | |
| 165 CCOC(=O)c1ccc(cc1)N(C)C,1,1,0,1,0,0,1 | |
| 166 CCc1cccc(C)c1N(C(C)COC)C(=O)CCl,1,0,0,1,0,1,1 | |
| 167 CN1C(=O)C=C(Oc2ccc(F)cc2F)c3cnc(NCC(C)(C)O)nc13,1,1,0,0,0,1,1 | |
| 168 CN1CCN(CC1)c2cc3N(C)c4ccccc4Oc3nn2,1,1,0,1,0,0,1 | |
| 169 CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F,1,1,0,1,0,0,1 | |
| 170 COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1,1,1,0,1,0,0,1 | |
| 171 COC1=CC(=O)OC(=C1)C=Cc2ccccc2,1,1,0,1,0,0,1 | |
| 172 COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1,1,1,0,1,0,0,1 | |
| 173 COc1ccc2cc(CCC(=O)C)ccc2c1,1,1,0,1,0,0,1 | |
| 174 COc1ccc2nc(N)sc2c1,1,1,0,1,0,0,1 | |
| 175 Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1,0,1,1,0,0,1,1 | |
| 176 Fc1ccc(cc1)N2CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2,1,1,0,0,1,0,1 | |
| 177 Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2,1,1,0,1,0,0,1 | |
| 178 NC(=N)N=C(N)NCCc1ccccc1,1,1,0,0,1,0,1 | |
| 179 NC(=O)Nc1ccc(Cl)c(Cl)c1,0,1,1,0,1,0,1 | |
| 180 NC(Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,0,0,0,1,1,1,1 | |
| 181 NNCCc1ccccc1,1,1,0,1,0,0,1 | |
| 182 NNc1nncc2ccccc12,1,1,0,1,0,0,1 | |
| 183 Nc1ccc(cc1)c2ccc(N)cc2,1,1,0,1,0,0,1 | |
| 184 Nc1ccc(cc1)c2ccccc2,1,1,0,1,0,0,1 | |
| 185 O=C(C(c1ccccc1)c2ccccc2)C3C(=O)c4ccccc4C3=O,0,1,1,0,0,1,1 | |
| 186 O=C(CC(=O)c1ccccc1)c2ccccc2,1,1,0,1,0,0,1 | |
| 187 O=C(Nc1ccccc1)Nc2ccccc2,1,1,0,1,0,0,1 | |
| 188 O=C(OCCc1ccccc1)C=Cc2ccccc2,1,1,0,1,0,0,1 | |
| 189 O=C(OCCc1ccccc1)c2ccccc2,1,1,0,1,0,0,1 | |
| 190 c1ccc(cc1)c2cccc(c2)c3ccccc3,1,1,0,1,0,0,1 | |
| 191 c1ccc2[nH]c(nc2c1)c3cscn3,1,1,0,1,0,0,1 | |
| 192 C(COCC1CO1)OCC2CO2,0,0,0,1,1,0,1 | |
| 193 C(c1ccccc1)[n+]2cccc3ccccc23,1,1,0,0,0,0,1 | |
| 194 CC(C)CC(C)(O)C#CC(C)(O)CC(C)C,0,1,0,1,0,0,1 | |
| 195 CC(C)COC(=O)c1ccc(N)cc1,1,1,0,0,0,0,1 | |
| 196 CC(C)c1ccc2cc(ccc2c1)C(C)C,0,1,0,1,0,0,1 | |
| 197 CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn3cncn3,1,0,0,0,1,0,1 | |
| 198 CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO,1,0,1,0,0,0,1 | |
| 199 CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(=O)C23,1,0,1,0,0,0,1 | |
| 200 CC1CCCC1,0,0,1,0,0,1,1 | |
| 201 CCC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34,1,1,0,0,0,0,1 | |
| 202 CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c2ccccc2,0,1,0,0,1,0,1 | |
| 203 CCCC1CCCC(=O)O1,0,0,0,1,0,1,1 | |
| 204 CCCCC(Cn1cncn1)(C#N)c2ccc(Cl)cc2,0,1,0,1,0,0,1 | |
| 205 CCCCCC=CCC=CCCCCCCCC(=O)O,0,0,1,0,0,1,1 | |
| 206 CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC,1,1,0,0,0,0,1 | |
| 207 CCCCOc1ccc(CC(=O)NO)cc1,1,1,0,0,0,0,1 | |
| 208 CCCOC(=O)c1ccc(N)cc1,1,1,0,0,0,0,1 | |
| 209 CCOC(=O)c1ccc(O)cc1,0,1,0,1,0,0,1 | |
| 210 CCOP(=S)(OCC)Oc1cc(on1)c2ccccc2,1,1,0,0,0,0,1 | |
| 211 CCOc1ccccc1OCCNC(C)Cc2ccc(OC)c(c2)S(=O)(=O)N,1,0,1,0,0,0,1 | |
| 212 CCOc1nc(F)cc2nc(nn12)S(=O)(=O)Nc3c(Cl)cccc3Cl,0,0,0,1,0,1,1 | |
| 213 CN1C(=O)N(C(=O)C=C1C(F)(F)F)c2ccc(Cl)c(c2)C(=O)OC(C)(C)C(=O)OCC=C,1,1,0,0,0,0,1 | |
| 214 CN1C=C(C(=O)C(=C1)c2cccc(c2)C(F)(F)F)c3ccccc3,1,0,0,0,1,0,1 | |
| 215 CN1CC(=O)N=C1NC(=O)Nc2cccc(Cl)c2,0,1,0,1,0,0,1 | |
| 216 COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)C)c(C=NN5CCN(C)CC5)c(O)c4c3C2=O,1,0,1,0,0,0,1 | |
| 217 COc1c2C=CC(=O)Oc2cc3occc13,0,1,0,1,0,0,1 | |
| 218 COc1ccc(cc1)n2nc(cc2c3ccc(cc3)S(=O)C)C(F)F,0,1,0,0,1,0,1 | |
| 219 CSc1ccc(cc1)C(=O)c2[nH]c(O)nc2C,1,0,1,0,0,0,1 | |
| 220 Cc1cc(ccc1N)c2ccc(N)c(C)c2,1,1,0,0,0,0,1 | |
| 221 Clc1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1,1,1,0,0,0,0,1 | |
| 222 Clc1ccc(cc1)S(=O)(=O)c2ccc(Cl)cc2,1,1,0,0,0,0,1 | |
| 223 Clc1ccc(cc1)S(=O)(=O)c2ccccc2,1,1,0,0,0,0,1 | |
| 224 Clc1ccccc1c2nnc(nn2)c3ccccc3Cl,0,1,0,1,0,0,1 | |
| 225 Clc1nc(Cl)c(Cl)c(Cl)c1Cl,0,1,1,0,0,0,1 | |
| 226 IC#CCCCCCCCCC(=O)Oc1ccccc1,0,0,0,0,1,1,1 | |
| 227 Nc1ccc(Cl)cc1,0,1,0,0,0,1,1 | |
| 228 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,1,0,1,0,0,1 | |
| 229 OC(=O)CCCCCCNC1c2ccccc2CCc3ccccc13,0,0,0,1,1,0,1 | |
| 230 OC(=O)CN1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c3ccc(Cl)cc13,0,0,1,0,0,1,1 | |
| 231 OC(c1ccc(F)cc1)(c2cncnc2)c3ccccc3Cl,0,1,0,1,0,0,1 | |
| 232 ONc1ccccc1,0,1,0,1,0,0,1 | |
| 233 Oc1ccc(Cl)c(Cl)c1Cl,1,1,0,0,0,0,1 | |
| 234 c1ccc2cc3c4ccccc4c5ccccc5c3cc2c1,0,1,0,1,0,0,1 | |
| 235 c1ccc2cc3ccccc3cc2c1,0,1,0,1,0,0,1 | |
| 236 C(CNCc1ccccc1)NCc2ccccc2,0,0,0,0,1,0,1 | |
| 237 C(Cc1ccncc1)Cc2ccncc2,0,0,0,1,0,0,1 | |
| 238 C1CCCNCC1,0,0,0,1,0,0,1 | |
| 239 C1CN2CC(N=C2S1)c3ccccc3,0,1,0,0,0,0,1 | |
| 240 CC(=O)CC(C1=C(O)Oc2ccccc2C1=O)c3ccc(Cl)cc3,0,0,0,0,0,1,1 | |
| 241 CC(=O)CC(C1=C(O)Oc2ccccc2C1=O)c3ccc(cc3)[N+](=O)[O-],0,0,0,0,0,1,1 | |
| 242 CC(=O)OCC1=C(N2C(SC1)C(NC(=O)Cc3cccs3)C2=O)C(=O)O,0,1,0,0,0,0,1 | |
| 243 CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,0,0,1,0,0,0,1 | |
| 244 CC(=O)Oc1cc2CN(CCc2s1)C(C(=O)C3CC3)c4ccccc4F,0,0,1,0,0,0,1 | |
| 245 CC(C(=O)O)c1ccc(c(F)c1)c2ccccc2,0,0,0,0,0,1,1 | |
| 246 CC(C(=O)O)c1cccc(Oc2ccccc2)c1,0,0,0,0,0,1,1 | |
| 247 CC(C)(C(=O)c1cccnc1)c2cccnc2,0,0,0,1,0,0,1 | |
| 248 CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O,1,0,0,0,0,0,1 | |
| 249 CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC12C,1,0,0,0,0,0,1 | |
| 250 CC(C)(C1CCC(O)CC1)C2CCC(O)CC2,0,1,0,0,0,0,1 | |
| 251 CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc2c3CCCc3cc4CCCc24,0,1,0,0,0,0,1 | |
| 252 CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,0,0,0,0,0,1,1 | |
| 253 CC(C)(Oc1ccc(cc1)C2CC2(Cl)Cl)C(=O)O,0,0,0,0,0,1,1 | |
| 254 CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3,0,0,0,0,1,0,1 | |
| 255 CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C,0,1,0,0,0,0,1 | |
| 256 CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C,1,0,0,0,0,0,1 | |
| 257 CC(C)CCOC(=O)C=Cc1ccccc1,0,1,0,0,0,0,1 | |
| 258 CC(C)Cc1ccc(CC(=O)O)cc1,0,0,0,0,0,1,1 | |
| 259 CC(C)OC(=O)C,0,0,0,1,0,0,1 | |
| 260 CC(C)OC(=O)OCOP(=O)(COC(C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C,0,0,0,0,1,0,1 | |
| 261 CC(CCOC(=O)C)CC(C)(C)C,0,0,0,0,1,0,1 | |
| 262 CC(O)C1C2C(C)C(=C(N2C1=O)C(=O)O)SC3CNC(CNS(=O)(=O)N)C3,0,0,0,0,1,0,1 | |
| 263 CC(O)C1C2SC(=C(N2C1=O)C(=O)O)C3CCCO3,0,0,1,0,0,0,1 | |
| 264 CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O,0,0,0,0,0,1,1 | |
| 265 CC12CC1(C)C(=O)N(C2=O)c3cc(Cl)cc(Cl)c3,1,0,0,0,0,0,1 | |
| 266 CC12CCCC1C3CCC4CC(O)CCC4(C)C3CC2,0,1,0,0,0,0,1 | |
| 267 CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCCC5=N1,0,1,0,0,0,0,1 | |
| 268 CC1=NN(C(=O)C1)c2ccccc2,0,0,0,0,0,1,1 | |
| 269 CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C(C)C,0,0,0,0,1,0,1 | |
| 270 CC1CN(CC(C)N1)c2c(F)c(F)c3C(=O)C(=CN(C4CC4)c3c2F)C(=O)O,1,0,0,0,0,0,1 | |
| 271 CC1OC(C(O)C1O)N2C=C(F)C(=O)NC2=O,0,1,0,0,0,0,1 | |
| 272 CC=CC=CC=O,1,0,0,0,0,0,1 | |
| 273 CCC(C)(C)OC,0,1,0,0,0,0,1 | |
| 274 CCC(C)(C)c1ccc(O)cc1,0,1,0,0,0,0,1 | |
| 275 CCC1CC(N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)C)c3cc(ccc3N1C(=O)OC(C)C)C(F)(F)F,1,0,0,0,0,0,1 | |
| 276 CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)c(c1)C(=O)OCC(CC)CCCC,1,0,0,0,0,0,1 | |
| 277 CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5,0,0,0,0,0,1,1 | |
| 278 CCCCCC(=Cc1ccccc1)C=O,0,0,0,0,1,0,1 | |
| 279 CCCCCCC(O)CCCCCCCCCCC(=O)O,0,0,0,0,0,1,1 | |
| 280 CCCCCCCCC=CCCCCCCCC(=O)O,0,0,0,0,0,1,1 | |
| 281 CCCCCCCCCCCCCCCCOS(=O)(=O)O,0,0,0,0,1,0,1 | |
| 282 CCCCCCCCCCCCOS(=O)(=O)O,0,0,0,0,1,0,1 | |
| 283 CCCCCCCCCCOS(=O)(=O)O,0,0,0,0,0,1,1 | |
| 284 CCCCCCCCCOS(=O)(=O)O,0,0,0,0,0,1,1 | |
| 285 CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,0,1,0,0,0,0,1 | |
| 286 CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0,0,0,0,1,0,1 | |
| 287 CCCCNc1ccc(cc1)C(=O)OCCN(CC)CC,0,0,0,0,1,0,1 | |
| 288 CCCCOC(=O)CC(CC(=O)OCCCC)(OC(=O)C)C(=O)OCCCC,0,0,0,0,1,0,1 | |
| 289 CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2,0,1,0,0,0,0,1 | |
| 290 CCCCOCCOCCSC#N,0,0,0,0,0,1,1 | |
| 291 CCCC[P+](CC)(CCCC)CCCC,1,0,0,0,0,0,1 | |
| 292 CCCC[P+](CCCC)(CCCC)CCCC,1,0,0,0,0,0,1 | |
| 293 CCCOC(=O)c1ccc(nc1)C(=O)OCCC,0,0,0,1,0,0,1 | |
| 294 CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl,0,0,0,0,0,1,1 | |
| 295 CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2,0,0,0,1,0,0,1 | |
| 296 CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCCC3,0,1,0,0,0,0,1 | |
| 297 CCNC(=O)NC(=O)C(=NOC)C#N,0,0,1,0,0,0,1 | |
| 298 CCOC(=O)C(=C)C#N,0,0,0,1,0,0,1 | |
| 299 CCOC(Cc1ccc(OCCc2ccc(OS(=O)(=O)C)cc2)cc1)C(=O)O,0,0,0,0,0,1,1 | |
| 300 CCOc1ccc(C=CC)cc1O,0,1,0,0,0,0,1 | |
| 301 CCOc1ccc2ccccc2c1C(=O)NC3C4SC(C)(C)C(N4C3=O)C(=O)O,0,0,1,0,0,0,1 | |
| 302 CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],0,1,0,0,0,0,1 | |
| 303 CC[N+]1(CC)CCC(=C(c2ccccc2)c3ccccc3)C1C,1,0,0,0,0,0,1 | |
| 304 CN1CCCN=C1C=Cc2cccs2,0,1,0,0,0,0,1 | |
| 305 CNC(=O)ON=C(CSC)C(C)(C)C,0,0,0,0,1,0,1 | |
| 306 CNc1[nH]cnc2ncnc12,0,0,0,1,0,0,1 | |
| 307 COC(=O)C1=CCCN(C)C1,1,0,0,0,0,0,1 | |
| 308 COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl,0,1,0,0,0,0,1 | |
| 309 COC(C)(C)CCCC(C)CC=CC(=CC(=O)OC(C)C)C,0,0,1,0,0,0,1 | |
| 310 COC1CC(=C(c2cccs2)c3cccs3)C[N+](C)(C)C1,1,0,0,0,0,0,1 | |
| 311 COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl,0,1,0,0,0,0,1 | |
| 312 COP(=S)(OC)Oc1ccc(cc1)S(=O)(=O)N,1,0,0,0,0,0,1 | |
| 313 COc1cc(C)nc(n1)n2nc(C)cc2OC,1,0,0,0,0,0,1 | |
| 314 COc1cc(C=O)ccc1O,0,1,0,0,0,0,1 | |
| 315 COc1cc(C=O)ccc1OC(=O)C(C)C,0,1,0,0,0,0,1 | |
| 316 COc1cc(CCC(=O)C)ccc1O,0,1,0,0,0,0,1 | |
| 317 COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C3CCCO3,0,1,0,0,0,0,1 | |
| 318 COc1ccc(C(=O)c2ccccc2)c(O)c1,0,1,0,0,0,0,1 | |
| 319 COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3,0,0,0,0,0,1,1 | |
| 320 COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC,0,1,0,0,0,0,1 | |
| 321 CS(=O)(=O)NC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],0,0,0,0,0,1,1 | |
| 322 CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-],0,0,0,0,0,1,1 | |
| 323 CSc1ccc(cc1)C(=O)C(C)(C)N2CCOCC2,0,1,0,0,0,0,1 | |
| 324 Cc1cc(nnc1NCCN2CCOCC2)c3ccccc3,0,0,0,1,0,0,1 | |
| 325 Cc1ccc2OCC(=O)COc2c1,0,0,0,1,0,0,1 | |
| 326 Cc1cccc2sc3nncn3c12,0,0,1,0,0,0,1 | |
| 327 Cc1ccccc1N2CCN(CCc3nnc4CCCCn34)CC2,0,1,0,0,0,0,1 | |
| 328 Cc1onc(c2ccccc2Cl)c1C(=O)NC3C4SC(C)(C)C(N4C3=O)C(=O)O,0,0,1,0,0,0,1 | |
| 329 ClC(=O)OCCOCCOC(=O)Cl,0,0,0,0,1,0,1 | |
| 330 ClCC=C,0,1,0,0,0,0,1 | |
| 331 Clc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1,1,0,0,0,0,0,1 | |
| 332 Clc1cccc(c1)N2CCNCC2,0,0,0,0,1,0,1 | |
| 333 Cn1c(CCCC(=O)O)nc2cc(ccc12)N(CCCl)CCCl,0,0,0,0,1,0,1 | |
| 334 FC(F)(F)c1cccc(c1)C(=O)Cc2ccc(cc2)C#N,1,0,0,0,0,0,1 | |
| 335 FC(F)(F)c1ccccc1n2ccnc2,0,0,0,1,0,0,1 | |
| 336 Fc1ccc2OCCC3(NC(=O)NC3=O)c2c1,1,0,0,0,0,0,1 | |
| 337 N#Cc1cscn1,0,0,0,0,0,1,1 | |
| 338 NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N,0,0,0,1,0,0,1 | |
| 339 NC1=NCC2N1c3ccccc3Cc4ccccc24,0,0,0,0,1,0,1 | |
| 340 NCC(=O)CCC(=O)O,0,0,0,0,1,0,1 | |
| 341 NNC(=O)N,0,0,1,0,0,0,1 | |
| 342 Nc1c(CC(=O)O)cccc1C(=O)c2ccc(Br)cc2,0,0,0,0,0,1,1 | |
| 343 Nc1ccc(N)c(c1)[N+](=O)[O-],0,0,1,0,0,0,1 | |
| 344 Nc1ccc(cc1N)c2ccc(N)c(N)c2,0,0,0,1,0,0,1 | |
| 345 Nc1cccc2C(=O)NNC(=O)c12,0,1,0,0,0,0,1 | |
| 346 O1c2ccccc2Sc3ccccc13,0,0,1,0,0,0,1 | |
| 347 O=C1c2ccccc2C(=O)c3ccccc13,0,1,0,0,0,0,1 | |
| 348 OC(=O)C(Cc1cc(I)c(O)c(I)c1)c2ccccc2,0,0,0,0,0,1,1 | |
| 349 OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl,0,0,0,0,1,0,1 | |
| 350 OC(=O)COC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl,0,0,0,0,0,1,1 | |
| 351 OC(=O)COc1cc(Cl)c(Cl)cc1Cl,0,0,0,0,1,0,1 | |
| 352 OC(=O)Cc1c(Cl)ccc(Cl)c1Cl,0,0,0,0,0,1,1 | |
| 353 OC(=O)Cc1cccc2ccccc12,0,0,0,0,0,1,1 | |
| 354 OC(=O)P(=O)(O)O,0,1,0,0,0,0,1 | |
| 355 OC(=O)c1c2ccccc2cc3ccccc13,0,0,0,0,0,1,1 | |
| 356 OC[P+](CO)(CO)CO,0,0,0,0,0,1,1 | |
| 357 OCc1cccc(Oc2ccccc2)c1,0,1,0,0,0,0,1 | |
| 358 OS(=O)(=O)c1ccccc1C=O,0,0,0,0,1,0,1 | |
| 359 OS(=O)OCC1OC(OC2(COS(=O)O)OC(COS(=O)O)C(OS(=O)O)C2OS(=O)O)C(OS(=O)O)C(OS(=O)O)C1OS(=O)O,0,1,0,0,0,0,1 | |
| 360 Oc1ccc(cc1)C2CNCCc3c(Cl)c(O)c(O)cc23,0,1,0,0,0,0,1 | |
| 361 Oc1ccc(cc1)[N+](=O)[O-],0,1,0,0,0,0,1 | |
| 362 Oc1ccc2ccccc2c1,0,1,0,0,0,0,1 | |
| 363 Oc1ccccc1C#N,0,1,0,0,0,0,1 | |
| 364 Oc1cn2Cc3c(Cl)c(Cl)ccc3Nc2n1,0,0,1,0,0,0,1 | |
| 365 [O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1,1,0,0,0,0,0,1 | |
| 366 c1ccc2c(c1)c3cccc4cccc2c34,0,1,0,0,0,0,1 | |
| 367 CC(=C)C(=O)OCC[N+](C)(C)C,0,0,0,0,,1,1 | |
| 368 CC(C)Cc1ccccc1,0,0,0,0,0,0,0 | |
| 369 CC(C)N=C=NC(C)C,0,,0,0,0,0,0 | |
| 370 CCOc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C,0,,0,0,,,0 | |
| 371 CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C23OO4,1,1,,,,,1 | |
| 372 Oc1ccccc1Cl,0,0,0,0,0,0,0 | |
| 373 CCOC(=O)CCCCCCCCC(=O)OCC,0,0,0,0,0,0,0 | |
| 374 COc1ccc2ccccc2c1,,0,,0,0,0,0 | |
| 375 CN(C)c1ccc(cc1)N(C)C,1,1,,,,,1 | |
| 376 CCCC=CC=O,0,0,0,0,0,0,0 | |
| 377 CCCCCC(C)O,0,0,0,0,0,0,0 | |
| 378 OC(=O)c1ccccc1C2=C3C=C(I)C(=O)C(=C3Oc4c(I)c(O)c(I)cc24)I,1,,0,,,0,1 | |
| 379 Nc1ccc(cc1)N=Nc2ccc(N)cc2,,0,0,,,,0 | |
| 380 NCCNC(=O)c1ccc(Cl)cn1,0,0,0,0,0,0,0 | |
| 381 N#Cc1cccc(c1)C#N,0,0,0,0,0,0,0 | |
| 382 CC(=O)OCCOC(=O)C,0,0,0,0,0,0,0 | |
| 383 CCC1(O)CCC2C3CCC4=CCCCC4C3CCC12C,1,1,,,1,,1 | |
| 384 Nc1nc2ccccc2s1,,0,0,1,0,0,1 | |
| 385 CN1CC2C(C1)c3cc(Cl)ccc3Oc4ccccc24,0,0,0,0,,0,0 | |
| 386 CCOC(=O)COc1ccc2CCC(Cc2c1)NCC(O)c3cccc(Cl)c3,1,,0,,,,1 | |
| 387 OCCN1CCN(CCC=C2c3ccccc3Sc4ccc(Cl)cc24)CC1,0,,0,0,,,0 | |
| 388 Cc1[nH]nc2Nc3ccc(cc3C(=Nc12)c4ccccc4Cl)[N+](=O)[O-],,1,1,1,,1,1 | |
| 389 CC(C)CCCC(C)C1CCC2C(=CC=C3CC(O)CC(O)C3=C)CCCC12C,1,1,,0,,,1 | |
| 390 CCN(CC)CCOC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1,0,,0,0,1,,1 | |
| 391 O=C1CCCCC1,0,0,0,0,0,0,0 | |
| 392 NCCS,0,0,0,0,0,0,0 | |
| 393 Cc1ccc2C(=O)c3ccccc3C(=O)c2c1,1,1,,1,,0,1 | |
| 394 COc1cc(CCN)c(OC)cc1Br,0,0,0,,,0,0 | |
| 395 CCCCSP(=O)(SCCCC)SCCCC,0,0,0,0,0,0,0 | |
| 396 CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,0,0,0,0,0,0,0 | |
| 397 ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,,1,,,,,1 | |
| 398 COc1cc(cc(OC)c1OC)C(=O)NC2CCCNC2,0,0,0,0,0,0,0 | |
| 399 CC(=O)Nc1cccc(C)c1,0,0,0,0,0,0,0 | |
| 400 Cc1cc(C)c(N)cc1C,,,0,0,0,0,0 | |
| 401 CCC(=O)c1cccc(Cl)c1,0,0,0,0,0,0,0 | |
| 402 CC1CC(OC(=O)C)OC(C)O1,0,0,0,0,0,0,0 | |
| 403 CCC1(C(=O)NC(=O)N(C(=O)c2ccccc2)C1=O)c3ccccc3,,,0,0,0,,0 | |
| 404 COc1ccc(c(OC)c1)S(=O)(=O)N2C(=O)C(N3CC(O)CC3C(=O)N(C)C)(c4ccccc4OC)c5cc(Cl)ccc25,1,1,,,,,1 | |
| 405 CCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,0,0,0,0,0,0,0 | |
| 406 OP(=O)(O)CCCl,0,0,0,0,0,0,0 | |
| 407 CC1OC(OCC2OC(OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)C(O)C(O)C2O)C(O)C(O)C1O,0,0,0,0,0,0,0 | |
| 408 FC(F)(F)C1(OC(=O)Nc2ccc(Cl)cc12)C#CC3CC3,1,1,,,,,1 | |
| 409 CNC(=O)ON=CC(C)(C)S(=O)C,0,0,0,0,0,0,0 | |
| 410 Cc1ccccc1CCO,0,0,0,0,0,0,0 | |
| 411 OCCSSCCO,0,0,0,0,0,0,0 | |
| 412 Oc1ccc(cc1O)C2CNCc3c(O)c(O)ccc23,0,0,0,0,,0,0 | |
| 413 CC(CCC(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 414 CC(C)(C)OOC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 415 NCCNCCNCCN,0,0,0,0,0,0,0 | |
| 416 CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC,0,0,0,0,0,0,0 | |
| 417 CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2,0,0,0,0,0,,0 | |
| 418 CC(C)CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,1,,1,,,1 | |
| 419 COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I,0,0,0,0,0,0,0 | |
| 420 Cc1cc(C)c(C)c(O)c1,0,,0,0,0,0,0 | |
| 421 CS(=O)(=O)NC(=O)CCCC=CCC1C(C=CC(O)COc2ccccc2)C(O)CC1=O,0,1,,0,0,,1 | |
| 422 COC(C)(OC)OC,0,0,0,0,0,0,0 | |
| 423 CCN(CC)C(C)CN1c2ccccc2Sc3ccccc13,0,0,0,0,,0,0 | |
| 424 CC1CCC(C(=O)C1)C(C)(C)S,0,0,0,0,0,0,0 | |
| 425 OCC(Cl)CCl,0,0,0,0,0,0,0 | |
| 426 Cc1ncsc1CCCl,0,0,0,0,0,0,0 | |
| 427 Oc1c(Cl)cc(Cl)c(Cl)c1Cl,,1,,1,1,1,1 | |
| 428 OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl,0,0,0,0,0,0,0 | |
| 429 CCc1ccc(cc1)S(=O)(=O)O,0,1,0,0,,,1 | |
| 430 CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,1,0,0,0,,0,1 | |
| 431 COc1cc(O)cc(O)c1,,,0,0,0,0,0 | |
| 432 Cc1ccc(cc1)S(=O)(=O)N=C=O,0,0,0,0,0,0,0 | |
| 433 CNC(=O)Oc1ccccc1OC(C)C,0,0,0,0,0,0,0 | |
| 434 CC1=CC(=O)Oc2cc(O)ccc12,0,0,,0,0,,0 | |
| 435 Cc1nc2ccccc2n1Cc3ccc(Cl)cc3,,1,1,0,1,,1 | |
| 436 COc1ccc(Nc2ccc(OC)cc2)cc1,1,1,0,1,,,1 | |
| 437 O=C1CCC(=NN1)c2ccc(cc2)n3ccnc3,0,,1,1,0,,1 | |
| 438 NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)CCC2N)C(O)C1OC3OC(CO)C(O)C(N)C3O,0,,0,0,0,,0 | |
| 439 CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(NS(=O)(=O)C)ccc4[nH]3,,0,,0,,0,0 | |
| 440 CC(O)c1nccc(n1)N2C(C)CN(CC2C)c3nc(C)nc(C)n3,,0,0,,0,0,0 | |
| 441 CCCCCC(=O)CC,,0,0,0,0,0,0 | |
| 442 CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,0,0,0,0,0,0,0 | |
| 443 CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3C(Cl)CC4=CC(=O)C=CC4(C)C3C(O)CC12C,1,1,1,1,0,,1 | |
| 444 Nc1ccc2cc(cc(O)c2c1N=Nc3ccccc3C(F)(F)F)S(=O)(=O)O,0,0,0,0,,0,0 | |
| 445 CC1(C)C2CCC1(C)C(=O)C2=O,0,0,0,0,0,0,0 | |
| 446 CC(=O)C=Cc1occc1,0,0,0,0,0,0,0 | |
| 447 C[N+]1(CCC(C(=O)N)(c2ccccc2)c3ccccc3)CCCCC1,0,0,0,0,0,0,0 | |
| 448 CC(C)(C)N,0,0,0,0,0,0,0 | |
| 449 CCCCCCCCC=CCCCCCCCCCCCC(=O)O,,0,,,0,1,1 | |
| 450 NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1O,0,0,0,0,0,0,0 | |
| 451 N#Cc1cccnc1,0,0,0,0,0,0,0 | |
| 452 CC(CN1CCCC1)C(=O)c2ccc(cc2)C(F)(F)F,,0,0,1,,0,1 | |
| 453 C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3,,,0,0,,0,0 | |
| 454 CCCCCC=CCC(=O)OC,0,0,0,0,,0,0 | |
| 455 BrCC(=O)OCc1ccccc1,0,,0,0,0,,0 | |
| 456 CC(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC=C)C1(C)C)C,,1,,,,,1 | |
| 457 COC(=O)CCCC(=O)OC,0,0,0,0,0,0,0 | |
| 458 Cc1ccc(O)c(O)c1,,1,,,,0,1 | |
| 459 CCCC1(CCc2ccccc2)CC(=O)C(=C(O)O1)C(CC)c3cccc(NS(=O)(=O)c4ccc(cn4)C(F)(F)F)c3,0,,1,0,1,,1 | |
| 460 Cc1cc(O)c(cn1)C(=O)NC(C(=O)NC2C3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4C)c5ccc(O)cc5,0,,0,0,0,,0 | |
| 461 c1ccc2cc3c(cc2c1)c4cccc5cccc3c45,1,1,1,,0,1,1 | |
| 462 CN1CCN(CCCN2c3ccccc3Sc4ccccc24)CC1,0,,0,,,,0 | |
| 463 COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CCC(=O)OCCN3CCOCC3,,1,,1,,1,1 | |
| 464 c1ccc2c(c1)ccc3ncccc23,1,1,,0,0,0,1 | |
| 465 CC(C)c1ccc(C=O)cc1,0,0,0,0,0,0,0 | |
| 466 C(=C(c1ccccc1)c2ccccc2)c3ccccc3,,1,,0,0,,1 | |
| 467 OC1COC(Nc2ccc(cc2)C(=O)O)C(O)C1O,0,,0,,0,,0 | |
| 468 CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl,1,1,0,,,,1 | |
| 469 Nc1nc(NC2CC2)c3ncn(C4CC(CO)C=C4)c3n1,1,1,0,1,0,,1 | |
| 470 CCN(CC)c1ccc2C(=CC(=O)Oc2c1)C,1,,1,1,,1,1 | |
| 471 Nc1cc(ccc1Cl)C(=O)O,0,0,,0,0,0,0 | |
| 472 COC(=O)c1cc(Cl)ccc1[N+](=O)[O-],0,0,0,0,,0,0 | |
| 473 CCOC(=O)C(C)(C)C,0,,0,0,0,0,0 | |
| 474 COc1ccccc1N,0,0,0,0,0,0,0 | |
| 475 CCc1cc2cc(OC)c(OC)cc2c(Cc3ccccc3)n1,,1,,,,,1 | |
| 476 OC(=O)CC(=O)O,0,0,0,0,0,0,0 | |
| 477 C(c1occc1)n2cccc2,0,0,0,0,0,0,0 | |
| 478 CC(CS)C1CCC(C)C(S)C1,0,0,,0,0,0,0 | |
| 479 CC1CC(C)C(=O)C1=O,0,0,0,0,0,0,0 | |
| 480 CN1c2ccccc2C(NCCCCCCC(=O)O)c3ccc(Cl)cc3S1(=O)=O,,,0,0,0,,0 | |
| 481 COc1ccccc1NC(=O)CC(=O)C,0,0,0,0,0,0,0 | |
| 482 CCCCCCCCOC(=O)C,0,0,0,0,0,0,0 | |
| 483 CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C,,1,,1,,0,1 | |
| 484 ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(=O)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl,,1,,,,,1 | |
| 485 CC(=O)c1ccc(O)cc1,0,,0,0,0,0,0 | |
| 486 CN(C)C(=O)CCSC(SCCC(=O)O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1,1,1,,1,,,1 | |
| 487 Cc1onc(c1C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O)c4c(F)cccc4Cl,0,,0,0,0,,0 | |
| 488 CCOC(=O)Cc1cccc(c1)c2cc(CCCCCCc3ccc(OC4OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C4OC(=O)C)c(c3)c5cccc(CC(=O)OCC)c5)ccc2OC6OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C6OC(=O)C,0,,0,0,0,,0 | |
| 489 CCCCN(CCCCO)N=O,0,0,0,0,0,0,0 | |
| 490 c1ccc(cc1)P(c2ccccc2)c3ccccc3,0,0,0,0,,0,0 | |
| 491 COC(=O)CCCCC(=O)O,0,0,0,0,0,0,0 | |
| 492 CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12,1,1,1,1,,,1 | |
| 493 BrCCOc1ccccc1,0,0,0,0,0,0,0 | |
| 494 Cc1cccc(C)c1,0,0,0,0,0,0,0 | |
| 495 C=CC=O,0,0,0,0,,0,0 | |
| 496 OCC1OC(O)(CO)C(O)C1O,0,0,0,0,0,0,0 | |
| 497 CN1CC(C=C2C1Cc3c[nH]c4cccc2c34)C(=O)NC5(C)OC6(O)C7CCCN7C(=O)C(Cc8ccccc8)N6C5=O,1,,0,0,0,1,1 | |
| 498 CC(=O)Nc1cccc(N)c1,0,0,0,0,0,0,0 | |
| 499 CC(C)(C)OCC1CO1,0,0,0,0,0,0,0 | |
| 500 CCN(CCC#N)c1ccc(cc1)N=Nc2ccc(cc2)[N+](=O)[O-],,1,,,,,1 | |
| 501 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2CCCC2C(=O)O,0,0,0,0,0,0,0 | |
| 502 CC1CCC2(O1)C(=CCCC2(C)C)C,0,0,0,0,0,0,0 | |
| 503 CC1OC(CC(O)C1OC2CC(O)C(OC3CC(OC(=O)C)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CCC8(C)C(C(O)CC78O)C9=CC(=O)OC9)C5,,1,,,0,1,1 | |
| 504 NC(=O)C(C1CCN(CCc2ccc3OCCc3c2)C1)(c4ccccc4)c5ccccc5,,0,0,0,,,0 | |
| 505 C(Oc1ccc(Cc2ccc(OCC3CO3)cc2)cc1)C4CO4,0,1,,,,1,1 | |
| 506 CC1(C)CCCC2(C)C1CCC3(C)OCCC23,0,0,0,0,0,0,0 | |
| 507 Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F,0,0,,0,,0,0 | |
| 508 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O,0,0,0,0,0,0,0 | |
| 509 O=C1CCCN1C2CCCCC2,0,0,,0,0,0,0 | |
| 510 OC(COc1cccc(Cl)c1)C=CC2C(O)CC(O)C2CC=CCCCC(=O)O,0,,1,0,0,,1 | |
| 511 CN(C)CCN(C)CCO,0,0,0,0,0,0,0 | |
| 512 CC1(C)C(CCC2(C)C1CCC3(C)C2C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(=O)O)OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)C(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 513 CC1NCc2cc(ccc12)c3ccc4C(=O)C(=CN(C5CC5)c4c3OC(F)F)C(=O)O,0,0,0,0,0,0,0 | |
| 514 CC1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 515 Cc1ccc(C)cc1,0,0,0,0,0,0,0 | |
| 516 CC(C)(S)C(=O)NC(CS)C(=O)O,0,,0,0,0,,0 | |
| 517 OC(=O)CBr,0,0,0,0,0,0,0 | |
| 518 CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,,1,0,0,,1 | |
| 519 C1CCCCC1,0,0,0,0,,0,0 | |
| 520 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2CC3(CC2C(=O)O)SCCS3,0,,0,0,0,,0 | |
| 521 ClCCN(CCCl)CCCl,0,,0,0,0,,0 | |
| 522 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)COC(=O)N)c3occc3,0,0,0,0,0,0,0 | |
| 523 Oc1cccc(Cl)c1,0,0,0,0,0,0,0 | |
| 524 CCCC(=O)CC,0,0,0,0,,0,0 | |
| 525 CC(=C)C(=O)N,0,0,0,0,0,0,0 | |
| 526 CSCCCN=C=S,0,1,,0,1,,1 | |
| 527 CCCCS(=O)(=O)NC(Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O,0,0,0,0,0,0,0 | |
| 528 CN1C(=O)N(C)c2[nH]c(Br)nc2C1=O,0,0,0,0,,0,0 | |
| 529 NC(=O)c1ccccc1[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 530 COc1cc(C)ccc1O,,,0,0,0,0,0 | |
| 531 COc1ccc(cc1OC)S(=O)(=O)N2C(C(=O)N3CCCC3C(=O)N)C(O)(c4ccccc4Cl)c5cc(Cl)ccc25,0,0,,0,0,0,0 | |
| 532 Oc1cc2ccccc2c3ccccc13,,1,1,,,,1 | |
| 533 CC(C)C(N)C(=O)OCC(CO)OCn1cnc2c(O)nc(N)nc12,0,,0,0,,,0 | |
| 534 OC(CN1CCC(Cc2ccc(F)cc2)CC1)c3ccc(Cl)cc3,0,,0,0,,0,0 | |
| 535 CCC1CCC(CCC(=O)O)C1,,1,,0,0,,1 | |
| 536 CC(=CC(=O)C=C(C)C)C,0,0,0,0,0,0,0 | |
| 537 CC=C1NC(=O)C2CSSCCC=CC(CC(=O)NC(C(C)C)C(=O)N2)OC(=O)C(NC1=O)C(C)C,1,1,1,1,,1,1 | |
| 538 CC1=NN=C(C(=O)N1N)c2ccccc2,0,,0,0,0,0,0 | |
| 539 CNC(=O)ON=C(SC)C(=O)N(C)C,,0,0,0,0,0,0 | |
| 540 CC(C)S,0,0,0,0,0,0,0 | |
| 541 OCC(O)C1OC2OC(OC2C1O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 542 CCC(C)C(=O)O,0,0,0,0,0,0,0 | |
| 543 CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)(COC(=O)CCc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)COC(=O)CCc4cc(c(O)c(c4)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,0,1,0,0,,0,1 | |
| 544 OC(=O)c1ccccc1C(=O)Nc2cccc3ccccc23,0,0,0,,0,0,0 | |
| 545 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,0,0,0,0,0,0,0 | |
| 546 Clc1ccc(cc1)C#N,0,0,0,0,0,0,0 | |
| 547 CSSC,0,,,,,,0 | |
| 548 CC(=NNC(=O)Nc1cc(F)cc(F)c1)c2ncccc2C(=O)O,0,0,0,0,0,0,0 | |
| 549 CC(=O)C1CCCCC1=O,0,0,0,0,0,0,0 | |
| 550 Nc1ccccc1[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 551 Oc1ccccc1C(=O)c2ccccc2O,,,,1,0,,1 | |
| 552 COC(CC(C)CCCC(C)(C)O)OC,0,0,0,0,0,0,0 | |
| 553 OCC(O)C(O)C(O)C=O,0,0,0,0,0,0,0 | |
| 554 COc1ccc(cc1)C2=CC(=S)SS2,1,1,1,,,0,1 | |
| 555 OCC(O)C(O)C(O)C(O)C(O)C(=O)O,0,0,0,0,,0,0 | |
| 556 CN(CC=CC#CC(C)(C)C)Cc1cccc2ccccc12,0,0,0,0,,0,0 | |
| 557 Nc1ccc(c(N)c1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 558 O=C1C(=O)c2cccc3cccc1c23,,,,0,,,0 | |
| 559 CNC(C)Cc1ccc2OCOc2c1,0,,0,0,0,0,0 | |
| 560 COc1ccc(cc1NNC(=O)OC(C)C)c2ccccc2,,1,,0,,,1 | |
| 561 NC(=O)OCC(COC(=O)N)c1ccccc1,0,0,0,0,0,0,0 | |
| 562 Nc1ncnc2c1ncn2C3OC4COP(=O)(O)OC4C3O,0,0,0,0,0,0,0 | |
| 563 CNC(=S)NN,,1,0,,,0,1 | |
| 564 C[N+](C)(C)CC(O)CC(=O)O,0,0,0,0,0,0,0 | |
| 565 CC1OC(CC(N)C1O)OC2CC(O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C,1,1,1,1,,1,1 | |
| 566 CNC1C(O)C(OC2C(O)C(OC3OC(CN)C(O)C(O)C3O)C(N)CC2NC(=O)C(O)CN)OCC1(C)O,1,,1,1,0,,1 | |
| 567 Nc1nc(Cl)nc2c1ncn2C3CC(O)C(CO)O3,0,1,0,0,,0,1 | |
| 568 CC(=O)C1C(=O)OC(=CC1=O)C,0,0,0,0,0,0,0 | |
| 569 CC(C)(C)OC(=O)c1ccccc1C(=O)O,0,0,0,,0,0,0 | |
| 570 CC1CCCC2(C)OC2CC(OC(=O)CC(O)C(C)(C)C(=O)C(C)C1O)C(=Cc3csc(C)n3)C,1,,,0,,,1 | |
| 571 NC(CSCCCO)C(=O)O,0,0,,0,0,0,0 | |
| 572 CCOC(=O)COc1ccc2C(=C(CCN(CC)CC)C(=O)Oc2c1Cl)C,1,0,1,1,,0,1 | |
| 573 COc1cc2CCN(CCCN(C)CC3Cc4cc(OC)c(OC)cc34)C(=O)Cc2cc1OC,0,,0,0,0,,0 | |
| 574 CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c3ccc(F)cc3,0,,0,0,,,0 | |
| 575 Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],,,1,0,,,1 | |
| 576 COc1ccc(cc1)C(=O)Nc2ccccc2CCC3CCCCN3C,0,,0,0,0,,0 | |
| 577 C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N,0,,0,0,0,,0 | |
| 578 CC(=O)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C,1,,1,0,1,0,1 | |
| 579 OC(=O)c1cccc(n1)C(=O)O,0,0,0,0,0,0,0 | |
| 580 CC(CCCC(C)(C)O)C1CCC2C(=CC=C3CC(O)CC(O)C3=C)CCCC12C,1,1,,0,,,1 | |
| 581 CC(C)(c1ccc(OCC2CO2)cc1)c3ccc(OCC4CO4)cc3,,0,,1,,,1 | |
| 582 COC1CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C(C1OC)C(=O)OC,0,,0,0,0,,0 | |
| 583 Cc1occc1SSc2ccoc2C,,0,1,,,0,1 | |
| 584 CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)OC4OC(=O)c5ccccc45,0,,1,0,1,,1 | |
| 585 CCCCC(CC)(CO)CO,0,0,0,0,0,0,0 | |
| 586 CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)C=CC=C(C)C=CC2=C(C)CC(O)CC2(C)C,1,,1,,,,1 | |
| 587 CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC7(C)C(CCC67O)C8=CC(=O)OC8)C4)OC3C)OC2C,1,1,,,0,,1 | |
| 588 Clc1ccccc1c2ccccc2Cl,0,1,,,,0,1 | |
| 589 CSc1cnccn1,0,0,0,0,0,0,0 | |
| 590 CN(C)CCC=C1c2ccccc2CCc3ccccc13,1,1,,0,,,1 | |
| 591 CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc12)OCOC(=O)C(C)(C)C,0,,0,0,1,0,1 | |
| 592 CCCSP(=S)(OCC)Oc1ccc(SC)cc1,0,0,0,0,0,0,0 | |
| 593 ClSC(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 594 O=C1CCCCCCCCCCCCCC1,0,0,0,,,0,0 | |
| 595 Oc1cc(O)cc(O)c1,0,,0,0,0,,0 | |
| 596 Nc1nc(N)nc(N)n1,0,0,0,0,,0,0 | |
| 597 NC(=S)c1c(Cl)cccc1Cl,0,0,0,0,0,0,0 | |
| 598 CCOC(OCC)C=CCCC=CCC,,0,,0,1,0,1 | |
| 599 OC(=O)CNC(=O)c1ccccc1I,0,0,0,0,0,0,0 | |
| 600 Oc1c(Cl)cc(Cl)cc1S(=O)c2cc(Cl)cc(Cl)c2O,0,,,0,,1,1 | |
| 601 COC(C(=O)O)c1ccccc1,0,0,0,0,0,0,0 | |
| 602 CC(=CCl)C,0,,0,0,0,0,0 | |
| 603 O=C(N1CCN(Cc2ccccc2)CC1)c3oc4ccccc4c3,1,,0,1,0,,1 | |
| 604 O=NN1CCCCCC1,0,0,,0,0,0,0 | |
| 605 CCC=CCCCCO,0,0,0,0,0,0,0 | |
| 606 CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc3ccc(cc3)S(=O)(=O)C,,0,0,0,0,0,0 | |
| 607 CCC=CCCOC(=O)c1ccccc1,0,0,0,0,,0,0 | |
| 608 Nc1ccc(Cl)c(N)c1,0,,0,0,0,,0 | |
| 609 OCC1OC(=O)C(O)C(O)C1O,0,0,0,0,0,0,0 | |
| 610 CC(C)Cc1nccs1,0,0,0,0,0,0,0 | |
| 611 CCC(C)c1cc(cc(c1OC(=O)C=C(C)C)[N+](=O)[O-])[N+](=O)[O-],,,,,,1,1 | |
| 612 CC(C)(C)NCC(O)c1ccc(O)cc1Cl,0,0,0,0,0,0,0 | |
| 613 OC(=O)C1C(C(=O)O)C2(Cl)C(=C(Cl)C1(Cl)C2(Cl)Cl)Cl,0,0,0,0,0,0,0 | |
| 614 CCCCCOC(=O)C,0,0,0,0,0,0,0 | |
| 615 NC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 616 CCCCCCCCC1CCC(=O)O1,1,1,1,,0,0,1 | |
| 617 O=C1CCCC(=O)C1,0,0,0,0,0,0,0 | |
| 618 CCCCCCCCCCCCCC(=O)OCC,0,0,0,0,0,0,0 | |
| 619 NC1=NC(=O)N(C=C1)C2CCC(CO)O2,0,0,0,0,0,0,0 | |
| 620 C=CC(=O)OCC1CC2CC1C3CCC(COC(=O)C=C)C23,,1,1,,,1,1 | |
| 621 CC(C)C(NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)NC(CC(O)C(Cc2ccccc2)NC(=O)OCc3cncs3)Cc4ccccc4,0,,,,,1,1 | |
| 622 Clc1ccc(cc1)c2ccccc2NC(=O)c3cccnc3Cl,0,0,0,0,,,0 | |
| 623 C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1,0,,0,0,0,,0 | |
| 624 CCCC(C)C(=O)O,0,0,0,0,0,0,0 | |
| 625 Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N,0,,,0,0,,0 | |
| 626 NC(=O)NC1NC(=O)NC1=O,0,0,0,0,0,0,0 | |
| 627 CN(C)CCCN(C)C,0,0,0,0,0,0,0 | |
| 628 O=C(OC1CCCCC1)c2ccccc2C(=O)OC3CCCCC3,,,0,,,,0 | |
| 629 Cc1ccc(Br)cc1,0,0,0,0,0,0,0 | |
| 630 Nc1ccc(Cl)c(Cl)c1,0,,0,0,0,,0 | |
| 631 COC1=NN(CSP(=S)(OC)OC)C(=O)S1,,0,0,0,0,0,0 | |
| 632 C1CS1,0,0,0,0,0,0,0 | |
| 633 CCC(=O)Nc1ccc(Cl)c(Cl)c1,1,1,0,0,,0,1 | |
| 634 Nc1nc(O)c2N(C=O)C(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)CNc2n1,0,,0,0,0,,0 | |
| 635 CCCCCCCCCCCCCCCC(=O)OC,0,0,0,0,0,0,0 | |
| 636 c1ccc2c(c1)c3cccc4ccc5cccc2c5c34,,0,,0,0,,0 | |
| 637 Oc1ccc(Cc2ccccc2)cc1,,1,,0,,0,1 | |
| 638 CCN(CC)CCN1C(=O)C(=Nc2ccccc12)Cc3ccc(OC)cc3,0,,0,0,,,0 | |
| 639 CC(CO)(CO)CO,0,0,0,0,0,0,0 | |
| 640 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1,1,1,,1,,1,1 | |
| 641 OS(=O)(=O)c1cc(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])ccc1Nc3ccccc3,0,0,0,0,,0,0 | |
| 642 CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC4NCCc5cc(OC)c(OC)cc45,1,1,1,1,1,,1 | |
| 643 CON=C(C(=O)OC)c1ccccc1CON=C(C)c2cccc(c2)C(F)(F)F,1,1,1,,,,1 | |
| 644 COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5c(OC)c34,0,,0,0,0,0,0 | |
| 645 OC(=O)CCCc1ccccc1,0,0,0,0,0,0,0 | |
| 646 CCCCCCCCCCCCCCCC[N+](C)(C)CC,1,1,,1,,,1 | |
| 647 Clc1ccc(c(Cl)c1Cl)c2ccc(Cl)c(Cl)c2Cl,0,,,0,0,0,0 | |
| 648 CCC(C)(CN(C)C)OC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 649 [O-][N+](=O)c1cccc2ccccc12,0,0,0,0,0,0,0 | |
| 650 Cc1nccn1CC2CCc3c(C2=O)c4ccccc4n3C,0,0,0,0,0,0,0 | |
| 651 CCSC(=O)N(CC)CC,0,0,0,0,0,0,0 | |
| 652 Cc1ncc(COP(=O)(O)O)c(CN)c1O,0,,0,0,0,,0 | |
| 653 CCCCCCCC(=O)OCC(O)CO,0,0,0,0,0,0,0 | |
| 654 CCC(C)C1OC2(CC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)C=CC=C6COC7C(O)C(=CC(C(=O)O3)C67O)C)O2)C=CC1C,1,1,,0,,,1 | |
| 655 NNc1nnc(Cc2ccncc2)c3ccccc13,0,,0,1,1,,1 | |
| 656 CCOC(=O)C(N)CS,0,,0,0,0,,0 | |
| 657 CCOc1cc(NC(=O)C)ccc1C(=O)OC,0,0,0,0,0,0,0 | |
| 658 [O-][N+](=O)c1ccccc1CC#N,0,0,0,0,0,0,0 | |
| 659 NC(CO)C(=O)O,,,0,0,0,,0 | |
| 660 NCC(CC(=O)O)c1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 661 CNCc1ccccc1,0,0,0,0,0,0,0 | |
| 662 CC(=NO)c1ccc(OCC(=O)N2CCCCC2)cc1,1,1,0,1,,0,1 | |
| 663 CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3S(=O)(=O)O)S(=O)(=O)O,,1,0,1,1,0,1 | |
| 664 NC(=N)N,0,0,0,0,0,0,0 | |
| 665 CCCOC(=O)C(C)O,0,0,0,0,0,0,0 | |
| 666 Nc1[nH]cnc2ncnc12,,0,0,1,0,0,1 | |
| 667 CS(=O)(=O)c1ccc(cc1Cl)C(CC2CCCC2)C(=O)Nc3cnccn3,1,,,,,,1 | |
| 668 CC(=CCCC(C)(OC=O)C=C)C,0,0,0,0,0,0,0 | |
| 669 OC(=O)c1cccc(c1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 670 NC(=O)c1cn(Cc2c(F)cccc2F)nn1,0,0,0,0,,0,0 | |
| 671 CCOP(=O)(CC)OCC,0,0,0,0,0,0,0 | |
| 672 OCC(=O)C(O)C(O)C(O)C(=O)O,,,0,0,0,,0 | |
| 673 CNc1ccccc1,0,0,0,0,0,0,0 | |
| 674 C1CCc2ccccc2C1,0,0,0,0,0,0,0 | |
| 675 CCOc1cc(c(OCC)cc1N2CCOCC2)[N+](=O)[O-],0,1,,1,,0,1 | |
| 676 CC(=CCCC(=CC=O)C)C,0,0,0,0,0,0,0 | |
| 677 CC1(CO)CN(NC1=O)c2ccccc2,0,0,0,,,,0 | |
| 678 Nc1ncnc2c1ncn2CCOCP(=O)(O)O,0,,0,0,0,,0 | |
| 679 OC(=O)c1ccccc1Nc2cc(Cl)ccc2C(=O)O,0,,0,0,0,0,0 | |
| 680 CC(=NCc1ccccc1)c2ccccc2O,0,,0,0,0,,0 | |
| 681 CCC=C1OC(=O)c2ccccc12,0,0,0,0,0,0,0 | |
| 682 NC12CC3CC(CC(C3)C1)C2,,0,0,0,,0,0 | |
| 683 CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C)OC(=O)C,,0,0,0,0,0,0 | |
| 684 CCSC(=O)Cl,,0,0,0,0,0,0 | |
| 685 CC(CO)(CO)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 686 CCCCC(CC)COC(=O)c1ccccc1O,0,0,0,0,0,0,0 | |
| 687 Cc1ccc(O)cc1,0,0,0,0,0,0,0 | |
| 688 COC12CC(COC(=O)c3cncc(Br)c3)CN(C)C1Cc4cn(C)c5cccc2c45,0,0,0,,,0,0 | |
| 689 CC(C)(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],,1,,,,,1 | |
| 690 CCCCCCCCCCCO,0,0,0,0,0,0,0 | |
| 691 CC(=O)OC(C)(C)C1CCC(=CC1)C,0,0,0,0,0,0,0 | |
| 692 CCn1nc(C)c2N=C(CNC(=O)c12)c3ccc(O)cc3,,1,1,0,0,0,1 | |
| 693 Cc1cccc(N)c1C,0,0,0,0,0,0,0 | |
| 694 OC(=O)c1occc1,0,0,0,0,0,0,0 | |
| 695 CCCCO[P+](=O)OCCCC,0,0,0,0,0,0,0 | |
| 696 C[N+]1(C)CCC(=C(c2ccccc2)c3ccccc3)CC1,0,0,0,0,0,0,0 | |
| 697 CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12,0,0,0,0,0,0,0 | |
| 698 CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c2occ(c2)C(C)(C)O,0,0,0,0,0,0,0 | |
| 699 CC=C(C(=CC)c1ccc(OC(=O)C)cc1)c2ccc(OC(=O)C)cc2,,,,,,1,1 | |
| 700 CCCCC(O)c1ccccc1,0,,0,0,0,,0 | |
| 701 Cc1cccc2[nH]nnc12,0,0,0,0,0,0,0 | |
| 702 COc1ccc(cc1)N=Nc2cc(C)c(cc2OC)N=Nc3ccc(cc3)S(=O)(=O)O,0,,0,,,0,0 | |
| 703 CC(CCl)OC(C)CCl,0,0,0,0,0,0,0 | |
| 704 Cc1ccc(CO)cc1,0,,0,0,0,0,0 | |
| 705 NC1(CCCCC1)c2ccccc2,0,0,0,,,,0 | |
| 706 CCCCC(CC)COC(=O)c1ccccc1,0,0,0,0,0,,0 | |
| 707 NS(=O)(=O)c1cc2c(NC(CC3CCCC3)NS2(=O)=O)cc1Cl,0,0,0,0,0,0,0 | |
| 708 CC1(C)OCC(COC(=O)CCc2ccc(OCC(O)CNCCNC(=O)N3CCOCC3)cc2)O1,0,0,0,0,0,0,0 | |
| 709 CCOP(=S)(OCC)SCSCC,0,0,0,,0,0,0 | |
| 710 Clc1ccc(CC#N)c(Cl)c1,0,0,0,0,0,0,0 | |
| 711 Cn1ccnc1S,0,0,0,0,0,0,0 | |
| 712 CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,,1,,1,,1,1 | |
| 713 CCc1cccc(CC)c1N(COC)C(=O)CCl,1,1,1,,1,1,1 | |
| 714 CCCCCCCCCCC=O,0,0,0,0,0,,0 | |
| 715 CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC,0,0,,0,1,0,1 | |
| 716 CN1CCC2Nc3ccc(C)cc3C2C1,0,0,0,0,0,0,0 | |
| 717 CCCC(=O)OCCc1ccccc1,0,0,0,0,0,0,0 | |
| 718 C1CN(CCO1)SSN2CCOCC2,,0,1,,,,1 | |
| 719 CCC(C)C1OC2(CCC1C)CC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)C=CC=C6COC7C(O)C(=CC(C(=O)O3)C67O)C)O2,,1,,0,,,1 | |
| 720 OC(=O)CF,0,0,0,0,0,0,0 | |
| 721 OC1CCC(CC1)C2CCCCC2,0,0,0,0,0,0,0 | |
| 722 CC(=O)Nc1ncc(s1)[N+](=O)[O-],,0,0,0,0,0,0 | |
| 723 COc1nc(C)nc(Cl)c1NC2=NCCN2,,0,0,,0,0,0 | |
| 724 CN1CCCC1=O,0,0,0,0,,0,0 | |
| 725 Nc1nc(N)c(N)c(N)n1,,0,,,0,0,0 | |
| 726 COc1cc(cc(OC)c1OC)C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2,,,,,,0,0 | |
| 727 Cc1cccc(N)c1N,1,,,0,0,0,1 | |
| 728 CNC1CC(c2ccc(Cl)c(Cl)c2)c3ccccc13,,,0,,,,0 | |
| 729 CC(=O)NS(=O)(=O)c1ccc(N)cc1,0,0,0,0,0,0,0 | |
| 730 OCC1CCC=CC1,,0,0,1,0,0,1 | |
| 731 CCCCCCC1CCC(=O)O1,0,0,0,0,0,0,0 | |
| 732 OCC=C1OC2CC(=O)N2C1C(=O)O,,,1,0,0,,1 | |
| 733 CCCCOC(=O)c1ccc(N)cc1,1,1,,0,1,1,1 | |
| 734 Nc1nnnn1c2ccccc2,0,0,0,0,0,0,0 | |
| 735 Cc1cccc(OCCOc2cccc(C)c2)c1,0,,0,0,0,0,0 | |
| 736 Cc1cccc(C)c1NC(=O)CN(CC(=O)O)CC(=O)O,0,0,0,0,,0,0 | |
| 737 CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1,0,,0,0,0,0,0 | |
| 738 CCCC(CCC)C(=O)N,0,,0,0,0,,0 | |
| 739 NC(=O)Oc1ccc(Cc2ccccc2)cc1,,1,0,0,,,1 | |
| 740 CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC,1,1,,,,1,1 | |
| 741 COCCOC(=C1C(C(=C(C)N=C1C)C(=O)OCC=Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])O,1,1,1,,,1,1 | |
| 742 COc1cc(NC(C)CCCN)c2ncccc2c1,0,,,0,,0,0 | |
| 743 CC(C)C(O)C(C)(C)CO,0,,0,0,,0,0 | |
| 744 CC12C(O)C=CC3(OC1=O)C4CCC5(O)CC4(CC5=C)C(C23)C(=O)O,0,0,0,0,0,0,0 | |
| 745 CC(C)C12CCC(C)(O1)C(C2)OCc3ccccc3C,,0,0,,1,0,1 | |
| 746 CN1C(CCC1=O)c2cccnc2,0,0,0,0,0,0,0 | |
| 747 O=CC(=O)c1ccccc1,0,0,,0,0,0,0 | |
| 748 CCN(C(=O)N(CC)c1ccccc1)c2ccccc2,1,0,0,,,0,1 | |
| 749 COCC(=O)OC1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc4cc(F)ccc4C1C(C)C,,1,,,,,1 | |
| 750 CN(C)c1ccc(C=Cc2ccc(cc2)[N+](=O)[O-])cc1,,1,,1,0,,1 | |
| 751 OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 752 CC(C)N=C(N)N=C(N)Nc1ccc(Cl)cc1,0,,0,0,1,,1 | |
| 753 CC(C)(O)CCc1ccccc1,0,0,0,0,0,0,0 | |
| 754 N(c1ccccc1)c2ccccc2,0,0,0,,0,0,0 | |
| 755 CN(C)C(=O)NC1(CCN(CCCC2(CCCN(C2)C(=O)c3ccccc3)c4ccc(Cl)c(Cl)c4)CC1)c5ccccc5,,0,0,,,0,0 | |
| 756 COc1cc2N3C4C5C(CC3=O)OCC=C6CN7CCC4(C7CC56)c2cc1OC,0,0,0,0,0,0,0 | |
| 757 Cc1ccc(NC=O)c(C)c1,0,0,0,0,0,0,0 | |
| 758 C(C1CO1)N(CC2CO2)c3ccc(Cc4ccc(cc4)N(CC5CO5)CC6CO6)cc3,1,,1,,,,1 | |
| 759 Cc1ccc(cc1)S(=O)(=O)NCl,0,0,0,0,0,0,0 | |
| 760 CC(C)(C)NCC(O)COc1cccc2C(=O)CCCc12,0,0,0,0,0,0,0 | |
| 761 CCCCCCOC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 762 Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1,0,,0,,,0,0 | |
| 763 CC(C)(c1ccc(Oc2ccc3C(=O)OC(=O)c3c2)cc1)c4ccc(Oc5ccc6C(=O)OC(=O)c6c5)cc4,0,0,0,0,0,0,0 | |
| 764 CCCCCCCCCCCC[n+]1ccc2ccccc2c1,,1,,,,,1 | |
| 765 Nc1nc(O)ncc1F,,0,0,0,0,0,0 | |
| 766 CC(C)CC(C)(c1ccc(O)cc1)c2ccc(O)cc2,1,1,,,,1,1 | |
| 767 CC(Cc1ccc2OCOc2c1)C=O,0,0,0,0,0,0,0 | |
| 768 C=CC(=O)OCCN1C(=O)N(CCOC(=O)C=C)C(=O)N(CCOC(=O)C=C)C1=O,1,1,,,,1,1 | |
| 769 CN=C(NCc1cnc(Cl)s1)N[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 770 CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1,0,0,0,0,0,0,0 | |
| 771 CCN(CC)C(=O)c1cc(c(cc1N(CC)CCN(C)C)N2CCC(CC2)c3ccccc3)S(=O)(=O)Cc4ccccc4,,0,0,,,,0 | |
| 772 OCCNc1ccc(cc1OCCO)[N+](=O)[O-],0,0,0,,0,0,0 | |
| 773 CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(C)CC3)C1=O,,0,0,0,0,1,1 | |
| 774 Cc1cscn1,0,0,0,0,0,0,0 | |
| 775 CCCCCC(CO)CCC,0,0,0,0,0,0,0 | |
| 776 CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13,,1,1,1,1,,1 | |
| 777 Cc1ccccc1OCC(O)CNCCOc2ccc(cc2)C(=O)N,0,,0,0,0,,0 | |
| 778 Cn1c(COC(=O)N)ncc1[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 779 CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C,0,0,0,0,0,0,0 | |
| 780 CCN(CC)CCOC(=O)c1ccc(N)cc1Cl,0,,0,0,0,,0 | |
| 781 Cc1cccc2sc(N)nc12,0,0,,0,0,0,0 | |
| 782 OC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 783 CCCCCCCCOC(=O)c1ccc(O)cc1,,1,,,,,1 | |
| 784 CC12CCC3C(CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)C1CCC2OP(=O)(O)O,1,1,0,0,1,,1 | |
| 785 CC(C)c1ccc(C)cc1O,0,0,0,0,0,0,0 | |
| 786 CN(C)C1C2CC3Cc4c(cc(NC(=O)CNC(C)(C)C)c(O)c4C(=C3C(=O)C2(O)C(=C(C(=O)N)C1=O)O)O)N(C)C,0,0,0,0,0,0,0 | |
| 787 Clc1ccc(cc1)C(=O)c2ccc(Cl)cc2,0,0,0,0,0,0,0 | |
| 788 CN(C)c1ccc2C(=CC(=O)Oc2c1)C,,1,1,1,0,1,1 | |
| 789 OC(=O)C(=O)Cc1ccccc1,,0,,0,0,0,0 | |
| 790 Oc1ccccc1,0,0,0,0,0,0,0 | |
| 791 NC1CONC1=O,0,0,,1,0,0,1 | |
| 792 Cc1ccc(N)cc1N,,0,0,0,0,0,0 | |
| 793 CC(=O)C(=O)O,0,0,0,0,0,0,0 | |
| 794 CC1(C)C2CCC1(C)C(O)C2,0,0,0,0,0,0,0 | |
| 795 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(CC(C)C(=O)C(C)C(O)C1(C)O)OC,0,0,0,0,0,0,0 | |
| 796 CCCCCCOC(=O)CC,0,0,0,0,0,0,0 | |
| 797 CC(CCC(=O)O)(N=NC(C)(CCC(=O)O)C#N)C#N,0,0,0,0,,0,0 | |
| 798 CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,,0,0,,,0,0 | |
| 799 OS(=O)(=S)O,0,0,0,0,0,0,0 | |
| 800 CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)cc2,0,,0,0,1,,1 | |
| 801 CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1,0,0,0,0,0,0,0 | |
| 802 OC(=O)c1cc2ccccc2cc1O,,,0,,0,0,0 | |
| 803 CC(=O)Oc1cccc2C(=O)c3cc(cc(OC(=O)C)c3C(=O)c12)C(=O)O,,,,0,0,0,0 | |
| 804 CCNc1cc(O)ccc1C,0,0,0,0,0,0,0 | |
| 805 CCCSc1cc(OC)c(CCN)cc1OC,1,,0,,,,1 | |
| 806 Cc1ccc(c(N)c1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 807 CCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl,1,1,,1,,,1 | |
| 808 CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,,0,0,0,0,,0 | |
| 809 CC(Cc1ccccc1)N(C)C,0,,0,0,0,,0 | |
| 810 O=CCc1ccccc1,0,0,0,0,0,,0 | |
| 811 OC(=O)c1cc(Br)c(O)c(Br)c1,0,0,0,,0,0,0 | |
| 812 CCCn1cnc2N(C)C(=O)N(CCCCC(=O)C)C(=O)c12,0,0,0,0,0,0,0 | |
| 813 O=C1OC(=O)C=C1,0,0,0,0,0,0,0 | |
| 814 COC1CC(CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC)CCC1OCCO,,1,,1,1,,1 | |
| 815 CC(=O)Nc1ccc(OCCOCCOc2ccc(NC(=O)C)cc2)cc1,0,0,0,0,0,0,0 | |
| 816 CCOC(=O)NNc1nncc2ccccc12,0,0,0,0,0,0,0 | |
| 817 OCCCCOC(=O)C=C,1,,,,,0,1 | |
| 818 CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24,0,0,0,0,,0,0 | |
| 819 OC(=O)COc1ccccc1C=NNC(=O)c2ccncc2,0,,0,0,0,,0 | |
| 820 CCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCC,1,,0,0,0,,1 | |
| 821 Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,0,0,0,0,0,0,0 | |
| 822 O=C(OCCOCCOCCOC(=O)c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 823 CN1C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4,0,0,0,0,0,0,0 | |
| 824 O=C1CCCCCCCCCCCC(=O)OCCO1,,0,0,,1,0,1 | |
| 825 [O-][N+](=O)c1c2ccccc2cc3ccccc13,0,1,,,0,,1 | |
| 826 CC(Oc1cccc(Cl)c1)C(=O)O,0,,0,0,0,0,0 | |
| 827 CC(C)(CC(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 828 CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O,,,1,0,,,1 | |
| 829 O=C1c2ccccc2Oc3ccccc13,,1,0,1,0,0,1 | |
| 830 COc1cccc(OC)c1C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O,0,0,,0,0,0,0 | |
| 831 CCCCCC[N+](=O)[O-],,0,,0,,0,0 | |
| 832 CC(C)(C)c1ccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)cc1,,,,1,,,1 | |
| 833 CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2OC(=O)CCc5ccccc5,1,1,,,,0,1 | |
| 834 CC1=C(CCN2CCC(=C(c3ccc(F)cc3)c4ccc(F)cc4)CC2)C(=O)N5C=CSC5=N1,,1,,0,,0,1 | |
| 835 OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3,0,0,0,0,,0,0 | |
| 836 CCOC(=O)c1ccc(N)cc1,,1,0,1,0,1,1 | |
| 837 Cc1c(N)cccc1[N+](=O)[O-],,0,0,0,0,0,0 | |
| 838 CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,0,0,0,0,0,,0 | |
| 839 Oc1ccc(Cl)cc1C(=O)Nc2ccccc2,,,,,,0,0 | |
| 840 OC(C#N)c1ccccc1,0,0,0,0,0,0,0 | |
| 841 CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C,0,1,0,0,,,1 | |
| 842 OCC(O)COP(=O)(O)O,0,0,0,0,0,0,0 | |
| 843 Nc1nc(S)c2[nH]cnc2n1,1,,,1,0,0,1 | |
| 844 NC(=O)CN(CC(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F,1,0,0,,0,1,1 | |
| 845 CC(C)(C)c1cc(CO)cc(c1O)C(C)(C)C,,1,1,,,0,1 | |
| 846 CC(=O)Nc1ccc(C)cc1C,0,0,0,0,0,0,0 | |
| 847 Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)n3c(S)nc4ccccc34,,,0,1,,,1 | |
| 848 Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O,1,1,1,1,,,1 | |
| 849 ClCCOCOCCCl,0,0,0,0,0,0,0 | |
| 850 CNC(=O)Oc1cccc(c1)N=CN(C)C,1,1,,0,,0,1 | |
| 851 CSc1ccc(O)cc1C,,1,,,,,1 | |
| 852 CCOP(=S)(OCC)Oc1cnc2ccccc2n1,,,0,0,0,0,0 | |
| 853 COc1cc(c(OC)cc1N)S(=O)(=O)Nc2ccccc2,0,0,0,0,0,0,0 | |
| 854 COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC,0,,,0,,0,0 | |
| 855 CNc1cc(OC)c(cc1Cl)C(=O)NC2CCN(Cc3ccccc3)C2C,,,0,0,,,0 | |
| 856 Nc1ccc(F)cc1F,0,0,0,0,0,0,0 | |
| 857 CC(C)CC(=O)C1C(=O)c2ccccc2C1=O,,1,,0,,1,1 | |
| 858 CCCCCCCCCCCCCC,0,0,0,0,0,0,0 | |
| 859 OS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1,0,0,0,0,0,0,0 | |
| 860 CCOCCO,0,0,0,0,0,0,0 | |
| 861 CC(C)CN(CC(OP(=O)(O)O)C(Cc1ccccc1)NC(=O)OC2CCOC2)S(=O)(=O)c3ccc(N)cc3,,,0,0,0,,0 | |
| 862 CCc1cccc(c1)N(C)C(=N)Nc2cccc3ccccc23,,0,0,1,,0,1 | |
| 863 CCN(C(=O)C)c1cccc(c1)c2ccnc3c(cnn23)C#N,,0,0,,0,0,0 | |
| 864 CC1OC(=C(O)C1=O)C,0,0,0,0,0,0,0 | |
| 865 OCCNC(=O)Cn1ccnc1[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 866 CCCCCC[n+]1ccccc1,1,1,,0,0,0,1 | |
| 867 CCCCOCCCC,0,0,0,0,0,0,0 | |
| 868 Cc1ccccc1,0,0,0,0,0,0,0 | |
| 869 OC1CC(OCc2ccc(cc2)c3ccccc3)C(CCC=CCCC(=O)O)C1N4CCCCC4,0,,0,0,0,,0 | |
| 870 Cc1c(Cl)cccc1Nc2ccccc2C(=O)O,,,1,0,,1,1 | |
| 871 OP(=O)(OCc1ccccc1)OCc2ccccc2,0,,0,0,,0,0 | |
| 872 COC(=O)c1ccc(cc1)C(=O)OC,0,0,0,0,0,0,0 | |
| 873 CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)Cc4ccc(Cl)c(Cl)c4,,,,,,0,0 | |
| 874 CC1OC(CC(O)C1O)OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C7(C)C(CCC67O)C8=CC(=O)OC8)C4)OC3C)OC2C,1,1,1,1,0,,1 | |
| 875 OC(=O)C(OC(=O)c1ccccc1)C(OC(=O)c2ccccc2)C(=O)O,0,0,0,0,0,0,0 | |
| 876 CCC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 877 CCCCCCCCCc1ccc(O)cc1,,1,0,,,0,1 | |
| 878 OC(=O)C1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 879 O=C1CCCC1,0,0,0,0,0,0,0 | |
| 880 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C3CCCCC3CC2C(=O)O,0,,0,0,0,,0 | |
| 881 CCCCO,0,,0,0,0,0,0 | |
| 882 CC1CC2C3CCC(O)(C(=O)COC(=O)CCC(=O)O)C3(C)CC(O)C2C4(C)C=CC(=O)C=C14,1,1,1,1,0,,1 | |
| 883 CCCCCCCCCCCCCCC(=O)O,,,0,0,0,0,0 | |
| 884 COCc1cnc(C2=NC(=O)C(C)(N2)C(C)C)c(c1)C(=O)O,0,0,0,0,0,0,0 | |
| 885 CCC(=O)Nc1cccc(N)c1,0,0,0,0,0,0,0 | |
| 886 Nc1cccc(c1)S(=O)(=O)c2cccc(N)c2,0,0,0,0,0,0,0 | |
| 887 CCC(=NOCC=CCl)C1=C(O)CC(CC1=O)C2CCOCC2,0,0,0,0,0,0,0 | |
| 888 CC1(C)NC(=O)NC1=O,0,0,0,0,0,0,0 | |
| 889 CC(C)CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CO)NC(=O)C(Cc4c[nH]c5ccccc45)NC(=O)C(Cc6c[nH]cn6)NC(=O)C7CCC(=O)N7)C(=O)NC(CCCN=C(N)N)C(=O)N8CCCC8C(=O)NCC(=O)N,0,,0,0,0,,0 | |
| 890 O1c2ccccc2Oc3ccccc13,0,0,0,0,0,0,0 | |
| 891 CN(C)c1cccc(O)c1,0,,0,0,0,0,0 | |
| 892 CC(CO)c1ccccc1,0,0,,0,0,0,0 | |
| 893 OC(=O)CCNC(=O)c1ccccc1,0,0,0,,1,0,1 | |
| 894 Fc1ccc(cc1)N2CCN(CCCC(=O)NC3c4ccccc4CSc5ccccc35)CC2,,1,0,,,,1 | |
| 895 CNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(C4)n5c(C)nc6ccccc56)(CC2)c7cccc(F)c7)c(Cl)cc1F,1,1,,,,,1 | |
| 896 CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)CCC(=O)O,1,,1,1,0,,1 | |
| 897 CCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(=O)C,1,1,1,,,,1 | |
| 898 CCCCCCC(CO)CCCC,0,0,0,0,0,0,0 | |
| 899 CCCCCCCc1ccc(O)cc1,,0,,,,0,0 | |
| 900 CCOc1ccc2nc(N)sc2c1,1,1,,1,0,0,1 | |
| 901 N#CCCCCC#N,0,0,0,0,0,0,0 | |
| 902 Cc1c(Cl)cccc1[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 903 OCC1OC(CC1O)N2C=C(C(=O)NC2=O)C(F)(F)F,0,,,0,1,1,1 | |
| 904 Cc1ccc(N)cc1S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 905 Cc1ncc([N+](=O)[O-])n1CC(O)CCl,0,0,0,0,0,0,0 | |
| 906 OCCOCCOC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F,,1,,0,,0,1 | |
| 907 Cc1onc(n1)c2ccc3CCN(CCC4CCC(CC4)NC(=O)C=Cc5ccc(F)cc5)CCc3c2,1,1,1,0,,1,1 | |
| 908 CC1(C)C(=O)NC(=O)NC1=O,0,0,0,0,0,0,0 | |
| 909 NCCc1c[nH]cn1,,0,,0,0,0,0 | |
| 910 O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3)c4ccccc4,,,,0,0,,0 | |
| 911 Clc1nc(C#N)c(Cl)c(Cl)c1Cl,,1,1,,,,1 | |
| 912 CC(C)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2,1,1,1,1,,1,1 | |
| 913 OC(=O)c1cccc(c1)C(=O)O,0,0,0,0,0,0,0 | |
| 914 Cc1ccc(N)nc1,0,0,0,0,0,0,0 | |
| 915 C=Cc1ccccn1,0,0,0,0,0,0,0 | |
| 916 CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)CC,0,,0,0,0,,0 | |
| 917 CC(=O)Oc1cc(C)c(OC(=O)C)c2ccccc12,1,,0,,,,1 | |
| 918 C(Nc1ncnc2c1ncn2C3CCCCO3)c4ccccc4,1,1,0,1,0,,1 | |
| 919 CC(=C)C1CNC(C1CC(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 920 CCCCCCCCCCCCCCCCCC(=O)OCC(C)O,0,,0,0,0,,0 | |
| 921 CCc1ccccc1O,0,0,0,0,0,0,0 | |
| 922 COC1CC(CCC1O)C=C(C)C2OC(=O)C3CCCCN3C(=O)C(=O)C4(O)OC(C(CC(C)CC(=CC(CC=C)C(=O)CC(O)C2C)C)OC)C(CC4C)OC,1,,,,,,1 | |
| 923 OC(CNCCOc1ccc(CC(=O)O)cc1)c2ccccc2,,0,0,0,0,0,0 | |
| 924 CCC(=O)OCc1ccccc1,0,0,0,0,0,0,0 | |
| 925 COC(=O)c1ccccc1C(=O)c2ccc(OCCN3CCCCC3)cc2,,0,,0,,0,0 | |
| 926 CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(cc3)C(=O)O)ccc12,0,1,,1,,,1 | |
| 927 Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2,0,0,0,0,0,0,0 | |
| 928 Oc1ccc(C(=O)c2ccc(O)c(O)c2)c(O)c1,1,1,,1,,0,1 | |
| 929 CCCCC(CC)COC(=O)C,0,0,0,0,0,0,0 | |
| 930 COc1cc(Cl)ccc1Cl,0,0,0,0,0,0,0 | |
| 931 CC(C)NCC(O)COc1ccccc1n2cccc2,,,0,0,0,,0 | |
| 932 O=C1CC2OCC=C3CN4CCC56C4CC3C2C5N1c7ccccc67,0,0,0,0,0,0,0 | |
| 933 OC(=O)C(Br)CBr,0,,0,1,0,1,1 | |
| 934 CN(C)C(=O)Cl,0,0,0,0,0,0,0 | |
| 935 CCOC(=O)N1CCC(CC1)n2c(O)nc3cc(Cl)ccc23,,1,,,,,1 | |
| 936 CC1=C(CCN2CCC(CC2)C(=O)c3ccc(F)cc3)C(=O)N4CCSC4=N1,,1,,,,,1 | |
| 937 CCN(CC)C(=S)S,1,1,,,,,1 | |
| 938 CC(C)C(=O)OCC(=O)C12OC(OC1CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC23C)C6CCCCC6,1,1,1,1,,,1 | |
| 939 CCN(CC)CCOC(=O)c1cccnc1,0,,0,0,0,,0 | |
| 940 CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,1,,,1,,,1 | |
| 941 CCCn1cc[n+](C)c1C,0,0,0,0,0,0,0 | |
| 942 CC(C)OC(=O)COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 943 O=C1NCCN1,0,0,0,0,0,0,0 | |
| 944 Nc1ccc(O)c(N)c1,,0,0,0,,,0 | |
| 945 COc1ccc2CN(C)CCC34C=CC(O)CC3Oc1c24,0,,0,0,0,,0 | |
| 946 CCCCCCCCCC(=O)OCC,0,0,0,0,0,0,0 | |
| 947 CCN(CC)C(=O)N1CCN(C)CC1,1,,1,1,0,0,1 | |
| 948 ON=CC=NO,0,0,0,0,0,0,0 | |
| 949 CC(N)CCCC(C)(C)O,0,0,0,0,0,0,0 | |
| 950 CCCCCC(O)C=CC1C(O)CC2OC(=CCCCC(=O)O)CC12,0,,0,0,0,,0 | |
| 951 Clc1c2ccccc2c(C=O)c3ccccc13,1,1,,0,0,,1 | |
| 952 CC(=O)NC1=NC(=O)N(C=C1)C2COC(COC(=O)c3ccccc3)O2,,0,0,,1,,1 | |
| 953 CCOC(=O)C,0,0,0,0,0,0,0 | |
| 954 Clc1ccc(C=O)cc1,,0,,,,0,0 | |
| 955 CCOP(=O)(Cl)Cl,0,0,0,0,0,0,0 | |
| 956 Clc1cccc(Cl)c1N2C(=O)Cc3ccccc23,,1,,,0,,1 | |
| 957 CCCC(=O)Cl,0,0,0,0,0,0,0 | |
| 958 Cc1cccc(N)c1,0,0,0,0,0,0,0 | |
| 959 CC(=C)C(=O)OCCOC1CC2CC1C3C=CCC23,0,0,0,0,0,,0 | |
| 960 OC(CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2,0,,0,0,0,,0 | |
| 961 CC(C)COC(=O)C(C)C,0,,0,0,0,0,0 | |
| 962 CCCCCCC=CC(=O)OC,0,0,0,0,0,0,0 | |
| 963 O=Cc1ccccc1,0,0,0,0,0,0,0 | |
| 964 CC(C)(O)C#C,0,,0,0,,0,0 | |
| 965 NCC(O)c1cccc(O)c1,0,,0,0,0,,0 | |
| 966 CNC(C)CCC=C(C)C,0,,0,0,,,0 | |
| 967 COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1,0,,0,0,0,0,0 | |
| 968 Oc1ccc2CC3C4CCCCC4(CCN3CC=C)c2c1,,,,0,,,0 | |
| 969 OCC=C1C[N+]2(CC=C)CCC34C2CC1C5=CN6C7C(=CN(C35)c8ccccc48)C9CC%10C7(CC[N+]%10(CC=C)CC9=CCO)c%11ccccc6%11,0,,0,0,0,,0 | |
| 970 CC1CCCC(C)N1NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N,0,,0,0,0,,0 | |
| 971 Cc1cc(cc(C)c1CC2=NCCN2)C(C)(C)C,0,0,0,0,,0,0 | |
| 972 Cc1ccccc1N2C(=Nc3ccc(N)cc3C2=O)CF,0,1,0,0,0,,1 | |
| 973 Nc1ccc(C(=O)O)c(O)c1,0,0,,0,0,0,0 | |
| 974 CCCCCCCCCc1ccc(OCCOCCO)cc1,1,1,1,,,,1 | |
| 975 COc1ccc(Br)c(C)c1,0,0,0,0,,0,0 | |
| 976 Nc1ccc(cc1)[N+](=O)[O-],,1,0,,,1,1 | |
| 977 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C[N+]3(C)CCCC3)c4csc(N)n4,0,,0,0,0,,0 | |
| 978 CCCCC(C)(O)CC=CC1C(O)CC(=O)C1CCCCCCC(=O)OC,,,0,0,,,0 | |
| 979 CC(=C)C1CC=C(C)C(O)C1,0,0,0,0,0,0,0 | |
| 980 C[N+]1(CCF)C2CCC1CC(C2)OC(=O)C(O)(c3ccccc3)c4ccccc4,0,,0,0,0,0,0 | |
| 981 Nc1ccccc1C(=O)OCCc2ccccc2,1,1,,,0,,1 | |
| 982 Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1,,0,0,0,0,1,1 | |
| 983 OC(=O)c1ccc(OCCCOc2ccc(cc2)C(=O)O)cc1,0,0,0,0,0,0,0 | |
| 984 CN(C)CCOCCN(C)C,0,0,0,0,0,0,0 | |
| 985 CC(C)(C)C1CCCCC1=O,0,0,0,0,0,0,0 | |
| 986 CC(C)c1ccc2c(cc(C(C)C)c(c2c1)S(=O)(=O)O)C(C)C,0,0,,0,,,0 | |
| 987 CN=C(NCCSCc1csc(N=C(N)N)n1)NC#N,0,0,0,0,0,0,0 | |
| 988 Nc1nc(O)c(Br)c(n1)c2ccccc2,,0,,0,0,0,0 | |
| 989 Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C2CCCCC2,,1,,,1,,1 | |
| 990 CCOC(=O)C1(CCCN(C)CC1)c2ccccc2,0,,0,0,0,,0 | |
| 991 CCCCCCCCCCCCSCCOCCO,0,0,0,0,0,,0 | |
| 992 CN1CCN2C(C1)c3ccccc3Cc4ccccc24,,,,0,,0,0 | |
| 993 CC(=O)CC(=O)C,0,0,0,0,0,0,0 | |
| 994 CNCc1ccc(NC(=O)c2c[nH]c3CCCC(=O)c23)cc1,0,,0,1,0,0,1 | |
| 995 Oc1c(I)cc(I)cc1C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2,,1,,0,,,1 | |
| 996 Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1,0,0,0,0,,,0 | |
| 997 OC(=O)Cc1sc(nc1c2ccc(Cl)cc2)c3ccccc3,,,,0,,1,1 | |
| 998 Oc1c(Br)cc(C=NOc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1Br,,,,0,,,0 | |
| 999 CCC1(O)CC(OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c5c(O)c6C(=O)c7c(O)cccc7C(=O)c6cc5C1C(=O)OC,1,1,1,1,,,1 | |
| 1000 COc1ccc(CC=C)cc1,0,0,0,0,0,0,0 | |
| 1001 COC(Cc1ccccc1)OC,0,,0,0,0,0,0 | |
| 1002 CCCCCCCCCC(=O)OC,0,0,0,0,0,0,0 | |
| 1003 CCCCCCCCCCCCCCCC(=O)OC1C(O)C(O)C(OC1SC)C(NC(=O)C2CC(CCC)CN2C)C(C)Cl,1,,0,0,0,,1 | |
| 1004 C1CCN2CCCN=C2CC1,0,0,0,0,0,0,0 | |
| 1005 CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,,,,,,1,1 | |
| 1006 CC(=O)Nc1ccc(N)cc1,0,0,0,0,,0,0 | |
| 1007 CC(C)C1CCC(C)CC1OC(=O)c2ccccc2O,0,,0,0,0,,0 | |
| 1008 OP(=O)(O)CN(CP(=O)(O)O)CP(=O)(O)O,0,0,0,0,0,,0 | |
| 1009 CCCCCCCCSCC,0,0,0,0,0,,0 | |
| 1010 CC=CC=CCO,,0,0,0,,0,0 | |
| 1011 CCOCCOCCOC(=O)C=C,0,0,0,0,0,0,0 | |
| 1012 CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n2ccnc2,,,,1,,1,1 | |
| 1013 CC(C)(C)CC(=O)OCC(=O)C12OC(C)(C)OC1CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC23C,1,1,1,1,0,,1 | |
| 1014 CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,,1,,,,,1 | |
| 1015 CCCCCCCCCI,0,,0,0,0,0,0 | |
| 1016 CCCCCCCCCOC(=O)c1ccc(O)cc1,,1,,,,,1 | |
| 1017 CCC1(Cc2ccccc2O1)C3=NCCN3,,,0,0,,0,0 | |
| 1018 COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC,0,,0,0,,,0 | |
| 1019 OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO,,,,,1,,1 | |
| 1020 COc1ccc(CN(CCN(C)C)c2ncccn2)cc1,0,0,0,0,0,0,0 | |
| 1021 Clc1cc(Cl)c(Cl)nc1Cl,0,0,0,0,0,0,0 | |
| 1022 ClCCN(CCCl)P1(=O)NCCCO1,0,0,0,0,0,0,0 | |
| 1023 CCCc1ncc(C[n+]2ccccc2C)c(N)n1,,0,0,0,0,0,0 | |
| 1024 OC(=O)c1ccccc1c2ccc(cc2)C(F)(F)F,,,,0,0,1,1 | |
| 1025 CCC(=O)OC1CCC2C3CCc4cc(OC(=O)CC)ccc4C3CCC12C,1,1,1,,0,,1 | |
| 1026 Cc1ccc(cc1C)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 1027 CCCCCCCC(=O)Cl,0,0,0,0,0,0,0 | |
| 1028 [O-][n+]1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 1029 CC(CC=O)CC(C)(C)C,0,0,0,,0,0,0 | |
| 1030 CCN(CC(=C)C)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0,,0,0,,0,0 | |
| 1031 CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCCC(O)C5=N1,0,0,0,0,0,0,0 | |
| 1032 CC(=Cc1ccccc1)[N+](=O)[O-],1,1,1,,,,1 | |
| 1033 Oc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 1034 CC(C)COC(=O)C=Cc1ccccc1,0,0,0,,0,0,0 | |
| 1035 CCCCOC(=O)CC#N,0,0,0,0,0,0,0 | |
| 1036 CCCCCOc1ccccc1C(=CSC)n2ccnc2,,,,,,1,1 | |
| 1037 CC(O)C(=O)C,0,0,0,0,0,0,0 | |
| 1038 CCCCCCCCP(=O)(O)O,0,0,0,0,0,0,0 | |
| 1039 CCC(C)C(=O)OCCc1ccccc1,0,0,0,0,0,0,0 | |
| 1040 Oc1ncnc2ccccc12,0,,0,0,0,,0 | |
| 1041 OCC(O)C(O)C(O)C(=O)CO,0,0,0,0,0,0,0 | |
| 1042 CC12CCC(=O)C=C1C=CC3C2CCC4(C)C3CCC45CCC(=O)O5,1,,1,1,,0,1 | |
| 1043 OS(=O)(=O)c1ccc(C=C)cc1,0,0,0,0,,0,0 | |
| 1044 COC(=O)c1ccc(C)cc1C2=NC(=O)C(C)(N2)C(C)C,0,0,0,0,0,0,0 | |
| 1045 CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1N=C(N)C(=O)O,0,0,0,0,0,0,0 | |
| 1046 CCCOc1sc(C(=O)N2CCC(CC2)c3cc(CN)ccc3F)c(C)c1Br,1,,,,,,1 | |
| 1047 CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC,0,0,0,0,0,0,0 | |
| 1048 Cc1cccc(C)c1NC(=O)CN2CCCC2=O,0,0,0,0,0,0,0 | |
| 1049 OC(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3CS(=O)(=O)O)c4ccccc4,0,,0,,,,0 | |
| 1050 OS(=O)(=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],,0,,,0,0,0 | |
| 1051 OS(=O)(=O)c1ccccc1C=Cc2ccc(cc2)c3ccc(C=Cc4ccccc4S(=O)(=O)O)cc3,,,1,0,,1,1 | |
| 1052 COc1cccc(c1)C2(O)CCCCC2CN(C)C,0,0,0,0,0,0,0 | |
| 1053 CCc1ccc(CC)cc1,0,0,0,0,0,0,0 | |
| 1054 COC(=O)c1cccc(Cl)c1,0,0,0,0,0,0,0 | |
| 1055 NC(Cc1c[nH]cn1)C(=O)O,0,,0,0,0,,0 | |
| 1056 Cc1c(cccc1[N+](=O)[O-])C(=O)O,,0,0,0,0,0,0 | |
| 1057 CN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O,0,0,0,0,0,0,0 | |
| 1058 C1CN(CCO1)SSc2nc3ccccc3s2,,0,1,,,,1 | |
| 1059 CCOCC(C)O,0,0,0,0,0,0,0 | |
| 1060 OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 1061 CC(C)c1ccc(O)cc1,0,0,0,0,0,0,0 | |
| 1062 CC(S)C(C)S,0,0,0,0,0,0,0 | |
| 1063 CC(=CCNc1ncnc2c1ncn2C3OC(CO)C(O)C3O)C,,1,,,,,1 | |
| 1064 Cc1ccc(C=O)s1,0,0,0,,0,0,0 | |
| 1065 CCCCCCCCCCCc1ccccc1,0,0,0,0,0,0,0 | |
| 1066 CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2,,0,0,0,0,0,0 | |
| 1067 CC(C)CC1N2C(=O)C(NC(=O)C3CN(C)C4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(OC2(O)C7CCCN7C1=O)C(C)C,1,1,1,1,,1,1 | |
| 1068 O=C(OC1CN2CCC1CC2)c3ccccc3,0,,,0,0,,0 | |
| 1069 FC(F)(F)c1[nH]c(c2ccc(Cl)cc2)c(C#N)c1Br,,1,,,,,1 | |
| 1070 CC(C)C1(C)N=C(NC1=O)c2ncccc2C(=O)O,0,0,0,0,0,0,0 | |
| 1071 Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Oc3ccc(cc3Cl)C(F)(F)F)cc2F,,1,,0,,1,1 | |
| 1072 O=C(C1CCC(=O)N1)N2CCCCC2,0,,0,0,0,0,0 | |
| 1073 Oc1cc(Cl)c(Cl)cc1Cl,0,,0,0,0,0,0 | |
| 1074 CC(C)(C)C1=NNC(=S)N(N)C1=O,0,0,0,0,0,0,0 | |
| 1075 Nc1nc(N)nc(n1)c2cc(Cl)ccc2Cl,0,0,0,0,0,0,0 | |
| 1076 OS(=O)(=O)CC(S)CS,0,,0,0,0,,0 | |
| 1077 CCc1nn(C2CCCCC2)c3cc(ccc13)C4(CCC(CC4)C(=O)O)C#N,1,1,1,,,1,1 | |
| 1078 CCCCCCCCSCCO,1,0,,0,0,0,1 | |
| 1079 CCCCOC(=O)c1ccccc1C(=O)O,0,0,0,0,0,0,0 | |
| 1080 CCCCOC(=O)C(=O)OCCCC,0,0,0,0,0,0,0 | |
| 1081 CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn3cncn3,,1,,,,1,1 | |
| 1082 CC1(C)SC2C(NC(=O)C(NC(=O)N3CCN(C3=O)S(=O)(=O)C)c4ccccc4)C(=O)N2C1C(=O)O,1,,0,1,,,1 | |
| 1083 CCCCCCCCCCCCCOP(=O)(O)O,1,,0,,0,,1 | |
| 1084 CN(C)N=Nc1ccccc1,0,0,0,0,0,0,0 | |
| 1085 Cc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 1086 CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C,0,,0,0,0,,0 | |
| 1087 COc1c(O)cc2C(=O)OC3C(O)C(O)C(CO)OC3c2c1O,0,,0,0,0,,0 | |
| 1088 NS(=O)(=O)c1cc2c(NC(=NS2(=O)=O)CSCc3ccccc3)cc1Cl,0,0,0,0,0,0,0 | |
| 1089 CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)c4ccccc4,1,1,1,0,,1,1 | |
| 1090 OC(CN1CCCCC1)c2cc(on2)c3ccccc3,0,1,0,1,0,,1 | |
| 1091 C[N+](C)(C)Cc1ccccc1,0,0,0,0,0,0,0 | |
| 1092 CC1OC(=O)CC(O)CC(O)CC(O)CCC(O)C(O)CC2(O)CC(O)C(C(CC(OC3OC(C)C(O)C(N)C3O)C=CC=CC=CC=CCCC=CC=CC(C)C(O)C1C)O2)C(=O)O,0,,0,0,0,,0 | |
| 1093 CC(C)(C)CC(C)(C)N,0,0,0,0,0,0,0 | |
| 1094 CC(O)Cn1c(C)ncc1[N+](=O)[O-],0,0,,0,0,0,0 | |
| 1095 NCC1OC(OC2C(N)CC(N)C(O)C2OC3OC(CO)C(O)C3O)C(N)C(O)C1O,0,,0,0,0,0,0 | |
| 1096 Nc1cccc(O)c1,,0,0,,,,0 | |
| 1097 Cc1cc(OCCOCC[N+](C)(C)Cc2ccccc2)ccc1C(C)(C)CC(C)(C)C,,1,,,,,1 | |
| 1098 CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C,0,,0,,0,0,0 | |
| 1099 OS(=O)(=O)CCCS(=O)(=O)O,0,,0,0,0,,0 | |
| 1100 CCC(C)C(N)C(=O)O,0,0,0,0,0,0,0 | |
| 1101 Cn1cnc2ncnc(N)c12,0,0,0,0,0,0,0 | |
| 1102 CCCC[N+]1(C)C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4,0,0,0,0,0,0,0 | |
| 1103 CCC(=O)OC(C)c1ccccc1,0,0,0,0,0,,0 | |
| 1104 OCCSCCO,0,0,0,0,0,0,0 | |
| 1105 c1ccsc1,,,,,0,0,0 | |
| 1106 CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(OC(F)F)cc3,1,0,,,1,0,1 | |
| 1107 NC(=O)CN1CCCC1=O,0,0,0,0,0,0,0 | |
| 1108 CN1CCN(CC1)c2ccccc2C=C3SCCN(C3=O)c4ccc(Cl)c(Cl)c4,,,,,,1,1 | |
| 1109 [O-][N+](=O)c1cccc(c1)S(=O)(=O)NCCNS(=O)(=O)c2cccc(c2)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 1110 O=C=NC1CCCCC1,,1,0,1,0,0,1 | |
| 1111 C(Cc1ccccc1)Cc2ccncc2,,,,1,0,0,1 | |
| 1112 OC(=O)CCCCCCCCCCC(=O)O,0,0,0,0,0,0,0 | |
| 1113 COc1ccc2C(OC(=O)c2c1OC)C3N(C)CCc4cc5OCOc5cc34,0,0,0,0,0,0,0 | |
| 1114 O=CNNC=O,0,0,0,0,0,0,0 | |
| 1115 OC(=O)C1=NC(=O)NC(=O)N1,0,,0,0,0,,0 | |
| 1116 Cc1ncc([N+](=O)[O-])n1CCO,0,0,0,0,0,0,0 | |
| 1117 CC(O)C1CCCCC1,0,0,0,0,0,0,0 | |
| 1118 CCCC[n+]1ccccc1C,0,0,0,0,0,0,0 | |
| 1119 CC(C)N(CCO)C(C)C,0,0,0,0,0,0,0 | |
| 1120 CC(=O)CC(C)(C)O,0,0,0,0,0,0,0 | |
| 1121 CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 1122 CCCCCCCCC=O,0,,0,0,0,0,0 | |
| 1123 Cc1cc2CCN3C(=O)C(NC(=O)c4ccncc4)N=C(c5ccccc5)c(c1)c23,,0,,0,,1,1 | |
| 1124 CC1C2C(O)C3C(N(C)C)C(=O)C(=C(O)C3(O)C(=C2C(=O)c4c(O)cccc14)O)C(=O)N,0,,0,0,0,,0 | |
| 1125 N#CNC#N,0,0,0,0,0,0,0 | |
| 1126 CN1CCCC1c2cccnc2,0,0,0,0,0,0,0 | |
| 1127 Clc1ccccc1,0,0,0,0,0,0,0 | |
| 1128 CCCC[N+](C)(CCCC)CCCC,0,0,0,0,0,0,0 | |
| 1129 FC(F)(F)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1Cl,,1,,,,,1 | |
| 1130 NNC(=S)N,,1,0,0,0,0,1 | |
| 1131 c1ccc2scnc2c1,0,0,0,0,0,0,0 | |
| 1132 CCOC(=O)CCC(=O)OCC,0,0,0,0,0,0,0 | |
| 1133 COc1nc(C)nc(N)n1,0,0,0,0,0,0,0 | |
| 1134 COc1cccc(n1)N(C)C(=S)Oc2ccc3CCCCc3c2,1,,1,,1,0,1 | |
| 1135 CCOC1Oc2ccc(OS(=O)(=O)C)cc2C1(C)C,,1,,0,0,0,1 | |
| 1136 Oc1cc(Cl)c(Cl)c(Cl)c1Cl,,1,,,,,1 | |
| 1137 CN(C)N=O,0,0,0,0,0,0,0 | |
| 1138 CCCCCCCCCCCCCCO,0,0,0,0,0,0,0 | |
| 1139 [O-][n+]1ccccc1SSc2cccc[n+]2[O-],1,,,,,1,1 | |
| 1140 NCCCNCCSP(=O)(O)O,0,0,0,0,0,0,0 | |
| 1141 CN1C(=O)CC(=O)N(c2ccccc2)c3cc(Cl)ccc13,0,,0,,0,,0 | |
| 1142 CNC1CC(N)C(O)C(OC2OC(CO)C(O)C3OC4(OC(C(N)CO)C(O)C(O)C4O)OC23)C1O,1,,0,0,,,1 | |
| 1143 CCC(NC(=O)c1cc(F)ccc1NS(=O)(=O)c2cccc3cccnc23)c4ccccc4,1,,,,,,1 | |
| 1144 CC(=O)Nc1ccc(C=NNC(=S)N)cc1,0,0,0,,0,0,0 | |
| 1145 Cc1ccc(cc1N=C=O)N=C=O,0,0,0,,0,0,0 | |
| 1146 Fc1cccc(F)c1C#N,0,0,0,0,0,0,0 | |
| 1147 C1COCCO1,0,0,0,0,0,0,0 | |
| 1148 CCN(CC)c1ccccc1,0,0,0,0,0,0,0 | |
| 1149 NC(=N)S(=O)O,0,0,0,0,0,0,0 | |
| 1150 CCCCN=C(N)N=C(N)N,,1,0,0,0,0,1 | |
| 1151 CCCCCC=O,0,0,0,0,0,0,0 | |
| 1152 NC(=O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc3ccc(O)cc3)NC(=O)CCSSCC(NC(=O)C(CC(=O)N)NC1=O)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N,0,0,0,0,0,0,0 | |
| 1153 CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2,0,,0,1,0,0,1 | |
| 1154 COCc1nnc(c2ccc[n+]([O-])c2)n1c3c(Cl)c(Cl)cc4nc(O)c(O)nc34,0,0,0,0,0,0,0 | |
| 1155 [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(cc2)[N+](=O)[O-])cc1,0,1,1,0,,,1 | |
| 1156 CC(O)COC(C)(C)C,,0,0,0,0,0,0 | |
| 1157 CCc1cnc(C2=NC(=O)C(C)(N2)C(C)C)c(c1)C(=O)O,0,0,0,0,0,0,0 | |
| 1158 CC(C)(C)c1csc(n1)c2oc3ccc(OCc4ccccc4CC(=O)O)cc3c2,,,,,,1,1 | |
| 1159 Cc1ccc(cc1)C#N,0,0,0,0,0,0,0 | |
| 1160 CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc3ccc4nonc4c3)cc1,,1,0,0,,0,1 | |
| 1161 OC(COCC=C)CS(=O)(=O)O,0,0,0,0,0,0,0 | |
| 1162 O=C1NC(=O)C2C3CC(C=C3)C12,0,,0,0,0,,0 | |
| 1163 OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,0,0,0,0,0,0,0 | |
| 1164 CC=CCC=CCCCCCCCCOC(=O)C,,0,1,,,1,1 | |
| 1165 CCc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(Br)cc3)C(=O)NN4CCCCC4,1,1,,1,,1,1 | |
| 1166 Cc1cc(Nc2ccccc2C(=O)O)ccc1Cl,1,,,0,1,,1 | |
| 1167 OCCO,0,0,0,0,0,0,0 | |
| 1168 OCC(CO)(CO)CO,0,0,0,0,0,0,0 | |
| 1169 CNC(=O)ON=CC(C)(C)SC,0,0,0,0,0,0,0 | |
| 1170 CCOc1cc(ccc1C2COC(=N2)c3c(F)cccc3F)C(C)(C)C,1,,,,,,1 | |
| 1171 ONC(=O)c1ccccc1,,0,0,,,0,0 | |
| 1172 COC(=O)c1ccc2cc(ccc2c1)C(=O)OC,0,0,0,,0,0,0 | |
| 1173 Oc1cc(O)c(Cl)cc1Cl,0,,0,0,0,0,0 | |
| 1174 CCCCCCCCC=CCCCCCCCC(=O)OCCCC,0,0,0,0,0,,0 | |
| 1175 CC(=O)Nc1ccc(cc1)C(=O)CCl,1,,0,,,,1 | |
| 1176 OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=C3C=C(I)C(=O)C(=C3Oc4c(I)c(O)c(I)cc24)I,1,,1,0,,,1 | |
| 1177 CC(=O)CC(=O)Nc1ccc(C)cc1C,0,0,0,0,0,,0 | |
| 1178 CC(=CCCC(C)(OC(=O)C=Cc1ccccc1)C=C)C,,0,0,,,0,0 | |
| 1179 Cc1ccsc1C(=CCCN2CCCC(C2)C(=O)O)c3sccc3C,0,0,0,0,0,0,0 | |
| 1180 Oc1ccc2c(OC(=O)c3c2oc4cc(O)ccc34)c1,,,,1,,,1 | |
| 1181 COP(=O)(C)OC,0,0,0,0,0,0,0 | |
| 1182 CN1CCC(CN2c3ccccc3Sc4ccccc24)C1,,,,0,,,0 | |
| 1183 CC(=O)c1ccccn1,0,0,0,0,0,0,0 | |
| 1184 CC(COc1ccccc1)NN,0,0,0,0,0,0,0 | |
| 1185 CC(C)CC(=NO)C,0,0,0,0,0,0,0 | |
| 1186 Cc1ccc(cc1C)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 1187 OCCN1CCN(CCC=C2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,,0,,,,,0 | |
| 1188 CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC,0,0,0,0,0,0,0 | |
| 1189 CS(=O)(=O)c1ccc(cc1)C(O)C(CF)NC(=O)C(Cl)Cl,0,,0,0,0,0,0 | |
| 1190 NC(=O)c1cc[n+](CC2=C(N3C(SC2)C(NC(=O)C(c4ccccc4)S(=O)(=O)O)C3=O)C(=O)O)cc1,0,,0,0,0,,0 | |
| 1191 CC(=O)C=C,0,0,,0,0,0,0 | |
| 1192 CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0,0,0,0,,0,0 | |
| 1193 CCOC(=O)OC(C1CC2CCN1CC2C=C)c3ccnc4ccc(OC)cc34,1,,0,0,,,1 | |
| 1194 OC(=O)C=CC(=O)O,0,0,0,0,0,0,0 | |
| 1195 COc1ccc(cc1)C(=C(c2ccc(OC)cc2)c3ccc(OC)cc3)Cl,,1,,1,1,0,1 | |
| 1196 CCCCCCCCn1cc[n+](C)c1,1,1,,1,1,0,1 | |
| 1197 C[N+](C)(C)CC(=O)O,0,0,0,0,0,0,0 | |
| 1198 Cc1ccccc1OCC2CO2,0,0,0,0,0,,0 | |
| 1199 Oc1ccc2ccccc2c1N=Nc3ccccc3,0,,0,0,0,0,0 | |
| 1200 Cc1ccc(C=C)cc1,0,0,0,0,0,0,0 | |
| 1201 OC1=C(C2CC(Cc3ccccc23)c4ccc(cc4)c5ccc(Br)cc5)C(=O)Sc6ccccc16,,1,,,,1,1 | |
| 1202 NCCCNCCCN,,,1,,,0,1 | |
| 1203 SCC(=O)Nc1ccccc1,1,1,1,0,,1,1 | |
| 1204 CNC(=O)Oc1c(cc(C)cc1C(C)(C)C)C(C)(C)C,0,0,0,,,0,0 | |
| 1205 Oc1cccc(c1)C(=O)c2ccccc2,,1,0,1,0,,1 | |
| 1206 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C)c3csc(N)n3,,0,0,0,0,0,0 | |
| 1207 Cc1ccc2C(=O)c3ccccc3C(=O)c2c1N,1,1,0,1,,0,1 | |
| 1208 CCCCc1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 1209 CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,,1,,1,,,1 | |
| 1210 NCCOCCOCCN,,0,0,0,0,0,0 | |
| 1211 c1cc2ccc3cccc4ccc(c1)c2c34,,1,0,0,0,0,1 | |
| 1212 CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,1,1,,0,1,,1 | |
| 1213 CC(=O)Nc1cccc(O)c1,,0,0,0,0,0,0 | |
| 1214 Brc1cc2ccccc2c3ccccc13,0,0,0,0,0,0,0 | |
| 1215 CCC(C)COC(=O)C=Cc1ccc(cc1)N=Cc2ccc(OC)cc2,1,1,0,,,0,1 | |
| 1216 CC(=O)OCCc1ccccc1,0,0,0,0,0,0,0 | |
| 1217 Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,,1,,1,1,1,1 | |
| 1218 OS(=O)CNc1ccc(cc1)S(=O)(=O)c2ccc(NCS(=O)O)cc2,0,,0,0,0,,0 | |
| 1219 COC(=O)C(N)CCCN=C(N)N[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 1220 Brc1ccc(Oc2ccccc2)cc1,0,0,0,0,0,0,0 | |
| 1221 ClCc1cccc(C=C)c1,0,0,0,0,0,0,0 | |
| 1222 CN1C(C)(C)CC(O)CC1(C)C,0,0,0,0,0,0,0 | |
| 1223 CNC(=O)Oc1ccc(N(C)C)c(C)c1,,,0,0,0,0,0 | |
| 1224 CN(C)Cc1ccccc1O,0,0,0,0,0,0,0 | |
| 1225 CCCCCCCCCCCCN,0,0,0,,0,1,1 | |
| 1226 Fc1ccc(cc1)C(N2CCN(CC2)c3nc(NCC=C)nc(NCC=C)n3)c4ccc(F)cc4,,1,,,,,1 | |
| 1227 Clc1ccc(cc1)C(C(=O)C2C(=O)c3ccccc3C2=O)c4ccccc4,,1,,,,1,1 | |
| 1228 CN1CCC(=C2c3ccccc3CCc4cccnc24)CC1,0,0,0,0,,,0 | |
| 1229 CCOP(=S)(OCC)Oc1cc(C)nc(n1)N(CC)CC,0,1,0,,1,0,1 | |
| 1230 CC1=NN(C(=O)C1)c2cccc(c2)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 1231 COC1(NC(=O)CSC(F)F)C2OCC(=C(N2C1=O)C(=O)O)CSc3nnnn3CCO,0,0,0,0,0,0,0 | |
| 1232 CC(=O)c1cnccn1,0,0,0,0,0,0,0 | |
| 1233 CC(C)CC(=O)OCc1ccccc1,0,0,0,0,0,0,0 | |
| 1234 COc1ccc2cc3c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC,,,0,0,0,0,0 | |
| 1235 CC(C)(C)C1(CCc2ccc(Cl)cc2)CO1,0,0,0,0,0,0,0 | |
| 1236 CN1C(=O)CN=C(c2ccccc2)c3cc(ccc13)[N+](=O)[O-],1,,1,1,,0,1 | |
| 1237 CC(C)C(SC(=O)C)C(=O)NC1Cc2ccccc2C3CCCC(N3C1=O)C(=O)O,0,0,0,0,0,0,0 | |
| 1238 CN(C1CCCCC1)S(=O)(=O)c2ccccc2N,,,,0,0,0,0 | |
| 1239 CC(C)CP(=S)(S)CC(C)C,,0,0,0,0,0,0 | |
| 1240 CCN,0,0,0,0,0,0,0 | |
| 1241 CC(=O)c1ccc(cc1)c2ccccc2,,1,,,,,1 | |
| 1242 OCCC1CCCCN1,0,0,,0,,0,0 | |
| 1243 NC1CCN(C1)c2nc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4F,1,,0,0,1,1,1 | |
| 1244 Oc1cc(cc(c1O)S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 1245 C1Cc2cccc3cccc1c23,0,0,0,0,0,0,0 | |
| 1246 OC(=O)CN(CC(=O)O)c1sc(C(=O)O)c(CC(=O)O)c1C#N,0,,0,0,0,,0 | |
| 1247 CC(C)(C)C(=O)C(Cl)Cl,0,0,0,0,0,0,0 | |
| 1248 CC(C)(C)c1ccc(cc1)C(=O)O,0,0,,0,0,0,0 | |
| 1249 CCC(C)c1ccc(O)cc1,0,0,0,0,0,0,0 | |
| 1250 CN(C=Nc1ccc(C)cc1C)C=Nc2ccc(C)cc2C,0,,0,0,0,0,0 | |
| 1251 C=CC(=O)OCCC#N,0,0,,,,1,1 | |
| 1252 CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC,1,1,,0,,0,1 | |
| 1253 COc1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)C(C)(C)C,0,,0,0,,0,0 | |
| 1254 ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl,0,0,0,0,0,0,0 | |
| 1255 OC1C=CC2C3Cc4ccc(O)c5OC1C2(CCN3CC=C)c45,0,,0,0,0,,0 | |
| 1256 O=C1CCCCC1CN2CCCCC2,0,,0,0,0,,0 | |
| 1257 CCCc1ccc(N)cc1,0,,0,0,0,0,0 | |
| 1258 COC1CN(CCO1)C2CC(OC3CC(O)(Cc4c(O)c5C(=O)c6cccc(OC)c6C(=O)c5c(O)c34)C(=O)CO)OC(C)C2O,,1,,,,,1 | |
| 1259 CCCCCCCCCCCCCC[n+]1ccccc1,1,1,,1,,,1 | |
| 1260 CC(C)(C)C1CCC(=O)CC1,0,0,0,,0,0,0 | |
| 1261 CCOC(=O)c1ccccc1O,0,0,0,0,0,0,0 | |
| 1262 CCCN(CCc1cccs1)C2CCc3c(O)cccc3C2,,0,0,,,0,0 | |
| 1263 COC(=O)C(C)Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1,1,,,0,0,0,1 | |
| 1264 ClC1=C(Cl)C1(Cl)Cl,0,0,0,0,0,,0 | |
| 1265 CCCNCCC,0,,0,0,,0,0 | |
| 1266 CC(=O)Oc1ccc(C)cc1,0,0,0,0,0,0,0 | |
| 1267 COC(=O)C=CC(=O)O,0,0,0,0,0,0,0 | |
| 1268 [O-][N+](=O)c1ccc(Oc2ccc(cc2)N=C=S)cc1,,1,,1,,,1 | |
| 1269 CC(C)C1N2C(=O)C(NC(=O)C3CC4C(Cc5c[nH]c6cccc4c56)N(C)C3)(OC2(O)C7CCCN7C1=O)C(C)C,0,,,0,,,0 | |
| 1270 C(N1CCCCC1)N2CCCCC2,0,0,0,0,,0,0 | |
| 1271 OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,0,0,0,0,0,0 | |
| 1272 CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c2ccccc2,0,0,0,0,0,0,0 | |
| 1273 BrC(Br)Br,0,,0,0,0,0,0 | |
| 1274 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)COC(=O)C)c3csc(N)n3,0,,0,0,0,,0 | |
| 1275 CC1(C)SC2C(NC(=O)C(c3ccccc3)S(=O)(=O)O)C(=O)N2C1C(=O)O,0,0,0,0,0,0,0 | |
| 1276 ClC(=O)c1ccc(cc1)C(=O)Cl,0,0,0,0,0,0,0 | |
| 1277 CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCO,,1,,,,,1 | |
| 1278 Nc1ccc(F)cc1,0,,0,0,0,,0 | |
| 1279 CC(COC(C)(C)C)OCCCO,,0,0,0,,0,0 | |
| 1280 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2cc(OC)c(OC)c(OC)c2)cc1OC,0,0,0,0,,0,0 | |
| 1281 CCN(CCN)c1cccc(C)c1,0,0,0,0,,0,0 | |
| 1282 COC(=O)C=Cc1ccccc1,0,0,0,0,0,0,0 | |
| 1283 Cc1c2ccccc2c(C)c3c1ccc4ccccc34,,1,1,,,,1 | |
| 1284 CCCc1nc(c(C(=O)OCC2=C(C)OC(=O)O2)n1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5)C(C)(C)O,0,,0,0,0,,0 | |
| 1285 c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45,1,1,1,,1,1,1 | |
| 1286 CC1CC=CC=CC=CC=CC(CC2OC(O)(CC(O)CC3OC3C=CC(=O)O1)CC(O)C2C(=O)O)OC4OC(C)C(O)C(N)C4O,,,0,0,0,,0 | |
| 1287 CCCN(CCC)C(=O)SCC,0,0,0,0,,0,0 | |
| 1288 CCCCCC(=O)OCC,0,0,0,0,0,0,0 | |
| 1289 CC(CN(C)C)CN1c2ccccc2S(=O)(=O)c3ccccc13,0,,0,0,,,0 | |
| 1290 On1nnc2ccccc12,,0,0,0,0,0,0 | |
| 1291 CCOc1ccc(NC(=S)Nc2ccc(OCC)cc2)cc1,0,,0,0,0,,0 | |
| 1292 CCC1(CCC(=O)NC1=O)c2ccc(N)cc2,0,0,0,,0,0,0 | |
| 1293 CC(Cc1ccc(OCC(=O)O)cc1)NCC(O)c2csc(n2)C(F)(F)F,0,0,0,0,1,,1 | |
| 1294 CC(Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C(=O)O,,,1,1,1,,1 | |
| 1295 COC(=C1C(C(=C(C)N=C1C)C(=O)OCCN(C)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])O,1,1,1,,,1,1 | |
| 1296 CCCN1CCCC(C1)c2cccc(O)c2,0,,0,0,0,,0 | |
| 1297 COC(=O)c1ccccc1OC,0,0,0,0,0,,0 | |
| 1298 C1CSCCS1,0,0,0,0,0,0,0 | |
| 1299 OC1C(COC(=O)c2cccnc2)(COC(=O)c3cccnc3)CCCC1(COC(=O)c4cccnc4)COC(=O)c5cccnc5,,,0,0,0,0,0 | |
| 1300 CCCC(=O)OCC=C(C)CCC=C(C)C,0,0,0,0,0,0,0 | |
| 1301 CCCCCCCCCCC1CO1,0,0,0,0,0,0,0 | |
| 1302 Nc1cc(ccc1C(=O)O)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 1303 FC(COC1CCC(CC1)Nc2[nH]cnc3nncc23)c4ccccc4F,1,1,,,,,1 | |
| 1304 CC(COCCO)OCCO,0,0,0,0,0,0,0 | |
| 1305 CCOC(=O)c1ccc(I)cc1,,,,,0,0,0 | |
| 1306 CC12CCC(O)CC1CCC3C2CCC4(C)C3CCC4=O,,1,,,,,1 | |
| 1307 [O-][N+](=O)c1ccc(cc1)C(=O)Cl,0,0,0,0,,0,0 | |
| 1308 CC(C)NC(=O)C=C,0,0,0,0,0,0,0 | |
| 1309 CC(CO)CO,0,0,0,0,,0,0 | |
| 1310 OC(NC(=O)NC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 1311 CC(C)NNC(=O)c1ccncc1,0,1,0,0,,0,1 | |
| 1312 BrC(Br)(Br)C=O,,1,,,,1,1 | |
| 1313 OC1CCCc2ccccc12,0,0,0,0,0,0,0 | |
| 1314 CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)c2ccccc2,0,1,0,1,,0,1 | |
| 1315 CN(C)C(=O)Nc1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 1316 CCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCC,0,0,0,0,0,0,0 | |
| 1317 CC=C(CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C)C(C)C,0,,,0,,,0 | |
| 1318 CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1,0,1,0,0,,,1 | |
| 1319 Nc1ccccc1c2ccccc2,0,,0,0,0,1,1 | |
| 1320 ClN1C(=O)CCC1=O,0,0,0,0,0,0,0 | |
| 1321 NC(=O)CCCCC1CCSS1,0,1,,0,0,0,1 | |
| 1322 CCN(CC)CCc1onc(n1)c2ccccc2,0,,0,0,0,0,0 | |
| 1323 Oc1ccccc1C=NNC(=O)c2ccncc2,,1,1,,1,,1 | |
| 1324 COc1cc2NC(=O)NC(=O)c2cc1OC,0,0,0,0,0,0,0 | |
| 1325 CCCOCCOCCOCCO,0,0,0,0,0,0,0 | |
| 1326 CCCCCCCCCCl,0,0,0,0,0,0,0 | |
| 1327 NCCCCC(N)C(=O)O,0,,0,0,0,,0 | |
| 1328 CC(C)c1cccc(C(C)C)c1O,0,0,0,0,0,0,0 | |
| 1329 CCCCCCCC(=O)CCC1C(O)CC(O)C1CC=CCCCC(=O)OC(C)C,,,,0,,,0 | |
| 1330 CC(C1=C(CCN(C)C)Cc2ccccc12)c3ccccn3,0,0,0,0,,0,0 | |
| 1331 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(=O)CC2(C)C1(O)C(=O)CO,1,0,1,,0,0,1 | |
| 1332 CN=C=O,0,0,0,0,0,0,0 | |
| 1333 CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1,0,0,0,0,0,0,0 | |
| 1334 Oc1nnnc2ccccc12,0,0,0,0,0,0,0 | |
| 1335 CC(C)(N=NC(C)(C)C#N)C#N,0,0,0,0,0,0,0 | |
| 1336 CCCCCSCCCCC,0,0,0,0,0,,0 | |
| 1337 CN1CCC(=C2c3ccccc3CCc4sccc24)CC1,,,0,0,,0,0 | |
| 1338 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,1,0,1,,1,1 | |
| 1339 CCC1(CC)C(=O)NC(=O)N(C)C1=O,0,,0,0,0,,0 | |
| 1340 CC(C)C1(NC(=O)C2CC3C(Cc4c[nH]c5cccc3c45)N(C)C2)OC6(O)C7CCCN7C(=O)C(Cc8ccccc8)N6C1=O,1,,,,,,1 | |
| 1341 CCc1ccc(O)c(OC)c1,0,0,0,0,0,0,0 | |
| 1342 COC(=O)c1cncn1C(C)c2ccccc2,0,0,0,0,0,0,0 | |
| 1343 CCCCCCCCCCCCCCCCCCO,0,0,0,0,0,0,0 | |
| 1344 CCCCN(CCC(=O)OCC)C(=O)C,0,0,0,0,0,0,0 | |
| 1345 Oc1ccccc1Cc2ccccc2O,,,0,0,,1,1 | |
| 1346 CN(C)CCOC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 1347 Oc1ccc(O)c(c1)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 1348 CSC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)C,0,0,,,,0,0 | |
| 1349 CC1=C(Br)C(=O)C(=CC1=C(c2cc(Br)c(O)c(Br)c2C)c3ccccc3S(=O)(=O)O)Br,,,0,,,0,0 | |
| 1350 CNC(=S)S,0,0,0,0,0,0,0 | |
| 1351 CCC(C)c1cc(cc(c1OC(=O)OC(C)C)[N+](=O)[O-])[N+](=O)[O-],,1,,,,1,1 | |
| 1352 S(Sc1nc2ccccc2s1)c3nc4ccccc4s3,0,0,0,0,0,0,0 | |
| 1353 CCN(CC)C(C)C(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 1354 CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl,,,,1,,,1 | |
| 1355 CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C,1,0,0,0,,0,1 | |
| 1356 O=C(OCCCc1ccccc1)C=Cc2ccccc2,0,,0,1,0,0,1 | |
| 1357 NCCCCC(NC(=O)C1CCCN1C(=O)C2CSSCC(N)C(=O)NC(Cc3ccc(O)cc3)C(=O)NC(Cc4ccccc4)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)N2)C(=O)NCC(=O)N,0,,0,0,0,,0 | |
| 1358 Oc1cc(Cl)cc(Cl)c1,1,,0,,1,0,1 | |
| 1359 CCN(CC)CCNc1ccc(CO)c2Sc3ccccc3C(=O)c12,1,1,1,,1,,1 | |
| 1360 CC(=O)NNc1ccccc1,0,1,,0,,1,1 | |
| 1361 OCCN1CCNC1=O,0,0,0,0,0,0,0 | |
| 1362 CCCC1CC(N(C)C1)C(=O)NC(C(C)Cl)C2OC(SC)C(OP(=O)(O)O)C(O)C2O,0,,0,0,0,,0 | |
| 1363 C1CC=CCCC=CCCC=C1,0,0,,0,0,,0 | |
| 1364 CCOC(=O)CNC(C1CCCCC1)C(=O)N2CCC2C(=O)NCc3ccc(cc3)C(=N)NO,0,,0,0,0,,0 | |
| 1365 CC(CNC(=O)c1cccnc1)NC(=O)c2cccnc2,0,,0,0,0,,0 | |
| 1366 COC(=O)N=NC=C1C=[N+]([O-])c2ccccc2N1O,0,0,0,0,0,0,0 | |
| 1367 CON=C(C1=NOCCO1)c2ccccc2Oc3ncnc(Oc4ccccc4Cl)c3F,1,1,,,1,1,1 | |
| 1368 CC1=Nc2ccccc2C1(C)C,0,,0,,0,0,0 | |
| 1369 COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2,0,0,0,0,0,0,0 | |
| 1370 CC1NC(=O)C(N)CNC(=O)C(NC(=O)C(=CNC(=O)N)NC(=O)C(CNC(=O)CC(N)CCCN)NC1=O)C2CCN=C(N)N2,0,0,0,0,0,0,0 | |
| 1371 COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC,,,,,1,,1 | |
| 1372 CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O,0,0,0,0,0,0,0 | |
| 1373 CC(Cl)(Cl)C(=O)O,0,0,0,0,0,0,0 | |
| 1374 CC(=C)c1ccccc1,0,,0,0,0,0,0 | |
| 1375 CCC=CCCOC(=O)C,0,0,0,0,0,0,0 | |
| 1376 Brc1ccc(c(Br)c1Br)c2cc(Br)c(Br)c(Br)c2,0,,,0,1,0,1 | |
| 1377 CCOCC(O)COc1ccc(NC(=O)CC[S+](C)C)cc1,0,0,0,0,0,0,0 | |
| 1378 NCCOCCO,0,0,0,0,0,0,0 | |
| 1379 CSc1nc(NC(C)C)nc(NC(C)C)n1,0,0,0,0,0,,0 | |
| 1380 Cc1ccc2nc(sc2c1S(=O)(=O)O)c3ccc(N)cc3,1,1,0,1,,,1 | |
| 1381 CCCCNc1ccccc1,0,0,,0,0,0,0 | |
| 1382 C=CCNCC=C,0,0,0,0,0,0,0 | |
| 1383 O=S(=O)(N1CCCNCC1)c2cccc3cnccc23,,1,0,1,0,0,1 | |
| 1384 OC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)O,,0,0,0,0,0,0 | |
| 1385 NNCc1ccccc1,1,1,0,1,,0,1 | |
| 1386 CN(C)CCO,0,0,0,0,0,0,0 | |
| 1387 CN1CCC(CC1)Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2,1,,1,,,1,1 | |
| 1388 CCON=O,0,,0,0,0,,0 | |
| 1389 CCCCCCC(O)CCOC(=O)C,0,0,0,0,0,0,0 | |
| 1390 NNCCO,0,0,0,0,0,0,0 | |
| 1391 CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C,0,0,0,0,0,0,0 | |
| 1392 CCN(CC)CCCC(C)Nc1cc(C=Cc2ccccc2Cl)nc3cc(Cl)ccc13,,,0,,,,0 | |
| 1393 COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1,0,,0,0,0,,0 | |
| 1394 CC1=CC(=O)c2ccccc2C1=O,0,1,0,0,,,1 | |
| 1395 Oc1cc(cc2cc(Nc3ccccc3)ccc12)S(=O)(=O)O,,0,0,0,0,0,0 | |
| 1396 CCCCCCCCCC=CCC1CC(=O)OC1=O,1,1,1,0,1,,1 | |
| 1397 CCN1C(=O)NC(C1=O)c2ccccc2,,,0,0,0,,0 | |
| 1398 CCCCC(CC)COCCCN,0,0,0,0,,0,0 | |
| 1399 CCC1(C)CC(=O)NC(=O)C1,0,,0,0,0,,0 | |
| 1400 CC(=O)OCC(=O)C1(O)C(=C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,1,1,1,1,0,,1 | |
| 1401 CC(CN1CC(C)OC(C)C1)Cc2ccc(cc2)C(C)(C)C,0,,0,0,1,0,1 | |
| 1402 c1ccc2[nH]nnc2c1,0,0,0,0,0,0,0 | |
| 1403 C=CCCCCCCCCC=O,1,,0,0,,,1 | |
| 1404 CC(C)OC(=O)C(=C1SC=CS1)C(=O)OC(C)C,0,,0,0,,0,0 | |
| 1405 CC(C)N(C(=O)CCl)c1ccccc1,1,1,1,,,1,1 | |
| 1406 CCC(C)Br,0,0,0,0,0,0,0 | |
| 1407 CN1C2CCC1CC(C2)OC(=O)C(O)c3ccccc3,0,0,0,0,0,0,0 | |
| 1408 O=C(OC(=O)c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 1409 CC(C)CC(O)CC(C)C,0,0,0,0,0,0,0 | |
| 1410 CCCC(=O)c1ccccc1,0,0,,0,0,0,0 | |
| 1411 OC(=O)CCSSCCC(=O)O,0,0,0,0,0,0,0 | |
| 1412 OC(=O)c1nn(c(O)c1N=Nc2ccc(cc2)S(=O)(=O)O)c3ccc(cc3)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 1413 ClC(Cl)(Cl)Br,0,0,0,0,0,0,0 | |
| 1414 Cc1ccc(cc1)S(=O)(=O)O,0,,0,0,0,0,0 | |
| 1415 CCCCOC(=O)CCCCCCCCC=C,0,0,0,0,0,0,0 | |
| 1416 O=C(OCc1ccccc1)C=Cc2ccccc2,1,,0,0,0,0,1 | |
| 1417 CC(=O)Nc1ccc(cc1)N=Nc2cc(C)ccc2O,,1,,,,,1 | |
| 1418 Cc1onc(c1)C(=O)NNCc2ccccc2,0,1,0,,0,,1 | |
| 1419 O=C(CN1CCNCC1)NC2CCCCC2,0,0,0,0,0,0,0 | |
| 1420 Oc1ccc(Cl)c2cccnc12,,1,0,,,,1 | |
| 1421 Cc1cccc(c1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 1422 Clc1ccc2C(=O)c3ccccc3C(=O)c2c1,0,0,0,0,0,0,0 | |
| 1423 CCCCCCCCCCCCCCC(CO)NC(=O)CCCCCCCCCCCCCC,0,0,0,0,0,0,0 | |
| 1424 CCNC(=O)C1CC(C)CCC1C(C)C,0,0,0,0,0,0,0 | |
| 1425 CC(COc1ccccc1)NC(C)C(O)c2ccc(O)cc2,0,0,0,0,0,0,0 | |
| 1426 CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)c3ccccc3Cl,1,,,0,,,1 | |
| 1427 CNCC(O)c1cccc(O)c1,0,0,0,0,0,0,0 | |
| 1428 NNC(=O)CP(=O)(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 1429 OC1(CCCCC1)C#C,0,0,0,0,0,0,0 | |
| 1430 CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1,,,0,0,0,1,1 | |
| 1431 CCCCOC(=O)C(=O)Nc1cccc(c1)c2nn[nH]n2,0,,0,0,0,,0 | |
| 1432 O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3,0,0,0,0,0,0,0 | |
| 1433 Nc1nc(cs1)c2ccccc2,,1,1,1,0,,1 | |
| 1434 CN(CCCN1c2ccccc2CCc3ccccc13)CC(=O)c4ccc(Cl)cc4,1,0,,0,,,1 | |
| 1435 NC1CCC(CC2CCC(N)CC2)CC1,,,0,0,0,0,0 | |
| 1436 Clc1ccc2C(=O)NSc2c1,,,,,,1,1 | |
| 1437 CCC(C)(C)C,0,0,0,0,0,0,0 | |
| 1438 Nc1nc(F)nc2c1ncn2C3OC(CO)C(O)C3O,0,0,0,0,,0,0 | |
| 1439 CCCCCCCCNC,0,0,0,0,0,,0 | |
| 1440 SCCOCCOCCS,0,0,,,0,0,0 | |
| 1441 OS(=O)(=O)CNNC(=O)c1ccncc1,0,,0,0,0,,0 | |
| 1442 CCc1cc(Cc2cc(CC)c(N)c(CC)c2)cc(CC)c1N,1,1,,,,,1 | |
| 1443 CC1=C(N2C(SC1)C(NC(=O)C(N)C3=CCC=CC3)C2=O)C(=O)O,0,0,0,0,0,0,0 | |
| 1444 C[n+]1cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14,,1,1,,,,1 | |
| 1445 CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC,0,0,0,0,0,0,0 | |
| 1446 CC(C)(C)OC(=O)c1ccc(O)cc1,,1,1,1,0,0,1 | |
| 1447 Cc1cccc(C)c1NC(=O)CN2CCCCCC2,0,0,0,0,0,0,0 | |
| 1448 C(N1CCNCC1)c2ccccc2,0,,0,0,0,0,0 | |
| 1449 OC(=O)c1cccc(Cl)c1Cl,,0,0,0,0,0,0 | |
| 1450 OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3,1,1,1,1,,1,1 | |
| 1451 Nc1nc(Cl)cc(Cl)n1,0,0,0,0,0,0,0 | |
| 1452 CCC(=O)OC(=O)CC,0,0,0,0,0,0,0 | |
| 1453 Clc1ccc(CC2C(=O)N=C3SCCN3C2=O)cc1,,,0,0,0,,0 | |
| 1454 Oc1c(Cl)cccc1Cl,,,0,,0,0,0 | |
| 1455 CC(Cc1ccc2OCOc2c1)NO,0,0,0,0,0,0,0 | |
| 1456 CC(C)c1ccc(C)cc1,0,0,0,0,0,0,0 | |
| 1457 CC(C)CCOCc1ccccc1,0,0,0,0,0,0,0 | |
| 1458 CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2,0,0,0,0,0,0,0 | |
| 1459 CC(C)C(N1CCCNC1=O)C(=O)NC(CC(O)C(Cc2ccccc2)NC(=O)COc3c(C)cccc3C)Cc4ccccc4,,1,,,,,1 | |
| 1460 CC(=O)OC1C(CC2C3CCC4CC(O)C(CC4(C)C3CCC12C)N5CCOCC5)[N+]6(CC=C)CCCC6,1,,,,0,,1 | |
| 1461 CN1C(=O)C=C(NCCN(CCO)CCCc2ccc(cc2)[N+](=O)[O-])N(C)C1=O,0,0,,,0,0,0 | |
| 1462 OCCSCSCCO,0,0,0,0,0,0,0 | |
| 1463 O=C1NCN(c2ccccc2)C13CCN(CC4COc5ccccc5O4)CC3,0,,0,0,,0,0 | |
| 1464 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)cc(C)c2O1,,0,0,0,0,0,0 | |
| 1465 O=C(CCC1CCN(Cc2ccccc2)CC1)c3ccc4CCCCNc4c3,,1,0,,,0,1 | |
| 1466 CCC12CCCN3CCc4c(C13)n(c5ccccc45)C(O)(C2)C(=O)OC,0,0,0,0,,0,0 | |
| 1467 CC(=O)Nc1ccccc1O,,0,0,0,0,0,0 | |
| 1468 CN1C(CNc2ccc(cc2)C(=O)NC(CCC(=O)O)C(=O)O)CNc3nc(N)nc(O)c13,0,,0,0,0,,0 | |
| 1469 CN(C)C(Cc1ccccc1)c2ccccc2,0,,0,0,0,,0 | |
| 1470 Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F,,,1,,,0,1 | |
| 1471 CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C,,1,1,,1,1,1 | |
| 1472 COc1cc(ccc1OC(F)F)c2ccc(O)nn2,0,1,1,0,,0,1 | |
| 1473 CC(=O)C1(O)CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC12C,1,1,1,1,1,,1 | |
| 1474 CC(=CCOC(=O)C)C,0,0,0,0,0,0,0 | |
| 1475 CCCCCCCCCCCCCCCCI,0,0,0,0,0,0,0 | |
| 1476 CC(C)CO,0,0,0,0,0,0,0 | |
| 1477 Cc1cccc(c1O)C(C)(C)C,0,,0,,0,0,0 | |
| 1478 CCCCC1CCC(O)CC1,0,0,0,0,0,0,0 | |
| 1479 Oc1c2ccccc2c(O)c3c1cc(Cl)c4nc5c6C(=O)c7ccccc7C(=O)c6cc(Cl)c5nc34,,0,0,0,0,0,0 | |
| 1480 Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3,1,,,,,,1 | |
| 1481 CN(C)CCOCCO,0,0,0,0,0,0,0 | |
| 1482 CCCCCCCCCC[N+](C)(C)[O-],0,0,,0,0,0,0 | |
| 1483 OC(=O)C=Cc1ccc(O)c(O)c1,,0,0,0,0,0,0 | |
| 1484 Cc1ccc(cc1)S(=O)(=O)C(I)I,,1,,,,,1 | |
| 1485 Oc1cc(Cl)ccc1Cl,0,0,0,0,0,0,0 | |
| 1486 CCCCCCCCCCCCCCN(CCO)CCO,,1,,,,,1 | |
| 1487 OC(=O)C=Cc1ccccc1,0,0,0,0,0,0,0 | |
| 1488 Cc1ccc2ccccc2c1C,0,0,0,0,0,0,0 | |
| 1489 [O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,0,0,0,0,0,0,0 | |
| 1490 CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,0,0,0,0,0,,0 | |
| 1491 COc1c2OC(=CC(=O)c2c(OC)c3ccoc13)C,0,0,0,0,0,0,0 | |
| 1492 CN(C)c1ccc(cc1)C(c2ccccc2)c3ccc(cc3)N(C)C,,0,1,,,0,1 | |
| 1493 OC1OCCOC1O,0,0,0,0,0,,0 | |
| 1494 CCCCCCCCCCCCOCCCN,0,,0,0,0,,0 | |
| 1495 CN1COCN(Cc2cnc(Cl)s2)C1=N[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 1496 CCOC(=O)Nc1cccc(OC(=O)Nc2ccccc2)c1,1,1,,1,0,0,1 | |
| 1497 CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=C(O)C1=O)O,0,0,,0,0,0,0 | |
| 1498 Cc1ccc2c(c1)c3CCCC4NCCn2c34,0,0,0,0,,,0 | |
| 1499 Nc1ccc(N)c2ccccc12,1,,,,,,1 | |
| 1500 Nc1ccc(cc1)S(=O)(=O)NCc2ccccc2,0,0,0,0,0,0,0 | |
| 1501 CC(O)CC(C)O,0,0,0,0,0,0,0 | |
| 1502 O=C1CCCCCCCCCCC=CCCC1,0,0,0,,,1,1 | |
| 1503 o1cccc1,0,,0,0,,0,0 | |
| 1504 CCOC(=O)OCCC(=C(C)N(Cc1cnc(C)nc1N)C=O)SC(=O)OCC,0,0,0,0,0,0,0 | |
| 1505 C1NCC2CC1c3cc4nccnc4cc23,,0,0,0,0,0,0 | |
| 1506 CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1,0,0,0,0,0,0,0 | |
| 1507 CN1CCCC(=C(c2cccs2)c3cccs3)C1,0,,0,0,0,,0 | |
| 1508 CCCCC,0,0,0,0,0,,0 | |
| 1509 CCCCCCCCCCCCCCNCCO,0,,0,,1,,1 | |
| 1510 O=C1N(SC2CCCCC2)C(=O)c3ccccc13,,1,,,,1,1 | |
| 1511 COS(=O)(=O)C(F)(F)F,,0,0,,0,0,0 | |
| 1512 CCN(CC)CCOC(=O)C(O)(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 1513 O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c4ccccc4,0,0,0,0,,0,0 | |
| 1514 CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(=O)C=CC(=CC1COC4OC(C)C(O)C(OC)C4OC)C,0,,0,0,0,,0 | |
| 1515 OC(=O)CC(NC(=O)OCc1ccccc1)C(=O)O,0,0,0,0,0,0,0 | |
| 1516 CCOC(C)(C)C,0,0,0,0,0,0,0 | |
| 1517 FC(F)(F)C(=O)CC(=O)c1ccccc1,,1,0,1,,,1 | |
| 1518 CC(=O)c1ccc2ccccc2c1,0,,0,0,0,0,0 | |
| 1519 CCCCCCCCCCCC(=O)C,0,,0,0,0,0,0 | |
| 1520 CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1,0,0,0,0,,0,0 | |
| 1521 C1CCC(CC1)(N2CCCC2)c3ccccc3,,,,0,,,0 | |
| 1522 [O-][N+](=O)c1ccc2[nH]ncc2c1,,0,0,0,0,0,0 | |
| 1523 Cc1ccc2cccnc2c1,0,0,0,0,0,0,0 | |
| 1524 SC(=S)NCCNC(=S)S,0,0,0,0,0,0,0 | |
| 1525 Nc1c(Oc2ccccc2)cc(O)c3C(=O)c4ccccc4C(=O)c13,,1,,,,,1 | |
| 1526 OC(=O)CCSCCC(=O)O,0,,0,0,0,0,0 | |
| 1527 CN(C)C1C2CC3C(O)c4c(Cl)ccc(O)c4C(=C3C(=O)C2(O)C(=C(C(=O)N)C1=O)O)O,,,0,0,0,,0 | |
| 1528 CCC(=O)N(C1CCN(CC1)C(C)Cc2cccs2)c3ccccc3,,1,,0,,0,1 | |
| 1529 CCCC(=NOCC=C)C1=C(O)C(=C(O)OC)C(C)(C)CC1=O,0,0,0,0,0,0,0 | |
| 1530 OS(=O)(=O)SSS(=O)(=O)O,0,0,0,0,0,0,0 | |
| 1531 BrCCCCCCBr,0,0,0,0,0,0,0 | |
| 1532 CCOc1ccccc1N,0,,0,0,0,0,0 | |
| 1533 CCCOC(C(=O)OC1CCN(C)CC1)(c2ccccc2)c3ccccc3,,0,0,0,,,0 | |
| 1534 CCOC(=O)CCCCCCCCC=C,0,0,0,0,0,0,0 | |
| 1535 CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(=O)C,0,0,0,0,0,0,0 | |
| 1536 CCC(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,0,,,0,1,1,1 | |
| 1537 Clc1cccc(Cl)c1C=O,0,0,0,0,0,0,0 | |
| 1538 COc1ccc(CCC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3OC4OC(C)C(O)C(O)C4O)cc2O)cc1O,0,0,0,0,0,0,0 | |
| 1539 N#Cc1ccccn1,0,0,0,0,0,0,0 | |
| 1540 COCCOC,0,,0,0,0,0,0 | |
| 1541 CCc1ccccc1CC,0,0,0,0,0,0,0 | |
| 1542 COC(=O)C(CN)c1c[nH]c2ccc(OC)cc12,0,,0,0,0,,0 | |
| 1543 Cc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1Br,0,,0,0,0,,0 | |
| 1544 Nc1nc(cs1)c2ccc(cc2)[N+](=O)[O-],,1,0,1,0,0,1 | |
| 1545 [O-][N+](=O)c1ccc(F)c(Cl)c1,0,0,0,0,0,0,0 | |
| 1546 Oc1c(Br)c(Br)c(Br)c(Br)c1Br,,1,,,,1,1 | |
| 1547 C=CC(=O)OCCCCCCOC(=O)C=C,1,1,1,,,1,1 | |
| 1548 CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-],1,,0,,0,0,1 | |
| 1549 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C=Cc3scnc3C)c4csc(N)n4,0,,0,0,0,,0 | |
| 1550 ClCc1ccccc1Cl,,0,0,0,0,0,0 | |
| 1551 Cn1nnnc1SCC2=C(N3C(SC2)C(NC(=O)C(OC=O)c4ccccc4)C3=O)C(=O)O,0,,0,0,,,0 | |
| 1552 CC1(C)CCCC2(C)C3CCC(C13)C2=C,0,0,0,0,0,0,0 | |
| 1553 CCOC(=O)C1OC1c2ccccc2,0,0,0,0,0,0,0 | |
| 1554 CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4=C3C=CC12C,1,1,,0,0,,1 | |
| 1555 O=CN1CCCCC1,0,0,0,0,0,0,0 | |
| 1556 COC(=O)c1ccc(I)cc1S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2,0,0,0,0,,0,0 | |
| 1557 CCCCCCCCCCCCCCCCC(=O)O,,0,0,0,0,0,0 | |
| 1558 CCOc1ccc2nc3cc(N)ccc3c(N)c2c1,1,1,,1,,,1 | |
| 1559 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSc3cnns3)c4csc(N)n4,,,0,0,0,,0 | |
| 1560 CCC(=O)OCCOc1ccccc1,0,0,0,0,0,0,0 | |
| 1561 CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,,1,,,,,1 | |
| 1562 OC(CCl)CS(=O)(=O)O,0,0,0,0,0,0,0 | |
| 1563 CCN1CCCC1=O,0,0,0,0,0,0,0 | |
| 1564 Nc1nc(N)nc(n1)c2ccccc2,,0,0,1,0,0,1 | |
| 1565 CC=C(C)C(=O)C,0,0,0,0,0,0,0 | |
| 1566 Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2,0,,0,0,0,,0 | |
| 1567 CC(C)(C)OC=O,0,0,0,0,0,0,0 | |
| 1568 CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C,1,,0,0,0,0,1 | |
| 1569 CC=CCC#N,0,,0,,0,0,0 | |
| 1570 CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3,0,,0,0,0,,0 | |
| 1571 COc1cc(CC=C)ccc1OC(=O)Cc2ccccc2,0,0,0,0,0,0,0 | |
| 1572 NC(=O)C=C,0,0,0,0,0,0,0 | |
| 1573 CCC(=CCCC(C)(O)C=C)C,0,0,,0,0,0,0 | |
| 1574 O=C1OC(=O)c2cc(Oc3ccc4C(=O)OC(=O)c4c3)ccc12,0,0,0,0,0,0,0 | |
| 1575 CC(=O)NC1C(O)OC(CO)C(O)C1OC2OC(C(OC3OC(CO)C(O)C(OC4OC(C(O)C(O)C4O)C(=O)O)C3NC(=O)C)C(O)C2O)C(=O)O,0,,0,0,0,,0 | |
| 1576 CS(=O)(=O)c1ccc(cc1)C(O)C(COC(=O)CN)NC(=O)C(Cl)Cl,0,,0,0,0,,0 | |
| 1577 CC1OC(CC(O)C1OC2CC(O)C(OC3CC(O)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CC(O)C8(C)C(CCC78O)C9=CC(=O)OC9)C5,,1,,,0,,1 | |
| 1578 CCOC(=O)CC(=O)OCC,0,0,0,0,0,0,0 | |
| 1579 OC(=O)C(S)C(S)C(=O)O,1,1,,0,,,1 | |
| 1580 Clc1ccc(OS(=O)(=O)c2ccccc2)cc1,,0,0,,0,0,0 | |
| 1581 CC(=C)CCl,0,0,0,0,0,,0 | |
| 1582 Nc1ccc(N=Nc2ccc(cc2)c3ccc(cc3)N=Nc4c(N)c5c(O)c(N=Nc6ccccc6)c(cc5cc4S(=O)(=O)O)S(=O)(=O)O)c(N)c1,0,,0,,,,0 | |
| 1583 CNNC,0,0,0,0,0,0,0 | |
| 1584 OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,0,0,1,,0,1 | |
| 1585 CC12CCC(=O)C=C1C=CC3C2CCC4(C)C3CCC4(O)CCC(=O)O,1,,1,0,0,,1 | |
| 1586 CCC(C)(C)C1CCC(O)CC1,0,0,0,0,0,0,0 | |
| 1587 CSCCC(NC(=O)C(Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)C(N)CC(=O)O)C(=O)NCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(Cc4ccccc4)C(=O)N,0,,0,,,,0 | |
| 1588 CC1=NN(C(=O)C1N=Nc2ccccc2)c3cc(ccc3Cl)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 1589 CNc1ccc(O)cc1,,1,,,,,1 | |
| 1590 Nc1ncnc2c1ncn2C3CCC(CO)O3,,0,0,0,0,0,0 | |
| 1591 CN1CCC23C4Oc5c(OC(=O)C)ccc(CC1C2C=CC4OC(=O)C)c35,0,,0,0,0,,0 | |
| 1592 CCOC(=O)C(C)O,0,0,0,0,0,0,0 | |
| 1593 C=CCOc1nc(OCC=C)nc(OCC=C)n1,0,0,0,0,0,0,0 | |
| 1594 CCCC(=O)C(CC)Sc1ccoc1C,0,0,0,0,0,0,0 | |
| 1595 CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1,1,1,,0,,,1 | |
| 1596 Fc1ccc(cc1)C2(Cn3cncn3)OC2c4ccccc4Cl,1,1,,1,,,1 | |
| 1597 COC1C(CCC2(CO2)C1C3(C)OC3CC=C(C)C)OC(=O)NC(=O)CCl,,,,,1,1,1 | |
| 1598 CCCc1nc(C)c2c(O)nc(nn12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC)CC4,0,0,0,0,0,0,0 | |
| 1599 COc1ccc(Cc2cnc(N)nc2N)cc1OC,0,0,0,0,0,0,0 | |
| 1600 COc1ccc2CC3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4Oc5ccc(CC6c7cc(Oc1c2)c(OC)cc7CC[N+]6(C)C)cc5,0,0,0,0,0,0,0 | |
| 1601 O=CC1CCC=CC1,0,0,0,0,,0,0 | |
| 1602 COC(=C1C(C(=C(C)N=C1C)C(=O)OCC(C)C)c2ccccc2[N+](=O)[O-])O,1,1,,,,,1 | |
| 1603 CC(C)C1(O)CCC(=CC1)C,0,0,0,0,0,0,0 | |
| 1604 COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1,0,0,0,0,0,0,0 | |
| 1605 CCC=CCCOC(=O)C(=CC)C,0,0,0,0,0,0,0 | |
| 1606 CC1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 1607 Cc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1C(C)(C)O,,1,,1,,1,1 | |
| 1608 CCC(CO)(CO)CO,0,0,0,0,0,0,0 | |
| 1609 CC(C)(C)CC(C)(C)c1cc(Cc2cc(cc(c2O)n3nc4ccccc4n3)C(C)(C)CC(C)(C)C)c(O)c(c1)n5nc6ccccc6n5,0,,0,0,0,,0 | |
| 1610 CC(=O)OC1(CCN(CCc2ccccc2)CC1)c3ccccc3,1,,0,0,,0,1 | |
| 1611 COC(=O)CCCC(=O)O,0,,0,0,0,0,0 | |
| 1612 NCCOC=CC(N)C(=O)O,0,,0,0,0,,0 | |
| 1613 CN(C)CCCN1c2ccccc2Sc3ccccc13,1,,1,,,,1 | |
| 1614 Nc1nc(CC(=O)O)cs1,0,1,,0,0,0,1 | |
| 1615 CCCCCCCCCCCCCC(=O)O,0,0,0,0,0,0,0 | |
| 1616 CCOc1ccc2ncc(C(=O)NCc3ccccc3)c(O)c2n1,1,1,0,,,0,1 | |
| 1617 OC(CCl)COCC=C,0,0,0,0,0,0,0 | |
| 1618 CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C,1,,1,1,0,0,1 | |
| 1619 CC(C)CC(=O)C(=O)C,0,0,0,0,0,0,0 | |
| 1620 CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3,0,0,0,0,0,,0 | |
| 1621 CCC(N1CCCC1=O)C(=O)N,0,0,0,0,0,0,0 | |
| 1622 Cc1cc(O)c2C3OCC45CCCC(C)(C)C4CCC(C)(Oc2c1)C35,,1,,,,,1 | |
| 1623 NCCCC(N)C(=O)O,0,,0,,0,,0 | |
| 1624 CC(OC(=O)C)OC(=O)C,0,0,0,0,0,0,0 | |
| 1625 Nc1cc(Cl)cc(Cl)c1,0,0,0,0,0,0,0 | |
| 1626 CCC12CCCN3CCc4c(C13)n(C(=O)C2)c5ccccc45,,,,1,,,1 | |
| 1627 CCCOC1=NN(C(=O)NS(=O)(=O)c2ccccc2C(=O)OC)C(=O)N1C,0,0,0,0,0,0,0 | |
| 1628 CC(CCCC(C)(C)O)C1CCC2C(=CC=C3CC(O)CCC3=C)CCCC12C,1,,,0,,,1 | |
| 1629 CC(C)c1ccc(cc1)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 1630 CC(CCCC(C)(C)O)C=C,0,0,0,0,0,0,0 | |
| 1631 COP(=O)(OC)Oc1ccc(cc1)[N+](=O)[O-],1,,,1,0,1,1 | |
| 1632 CCN1C=C(C(=O)O)C(=O)c2cc3OCOc3cc12,0,0,0,0,0,0,0 | |
| 1633 OCc1oc(cc1)C(=O)NCC(=O)O,0,0,0,,,0,0 | |
| 1634 Nc1cccc(Cl)c1,0,0,0,0,0,0,0 | |
| 1635 OC(CBr)C(O)C(O)C(O)CBr,0,0,0,0,0,0,0 | |
| 1636 Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O,,1,,,1,,1 | |
| 1637 CC(C)NC(C)C,0,0,0,0,0,0,0 | |
| 1638 CCC=CCC1=C(C)CCC1=O,,0,0,0,0,0,0 | |
| 1639 CC1CCC(CC1)NC(=O)N(CCCl)N=O,1,1,0,1,,,1 | |
| 1640 CCCCCCCO,0,0,0,0,0,0,0 | |
| 1641 Cc1ccc(cc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 1642 CCCCCCCCCCCCCCCCO,0,0,0,0,0,0,0 | |
| 1643 Oc1c2ccccc2c3N=Nc4cccc1c34,0,1,,1,1,,1 | |
| 1644 CCNC(C)Cc1cccc(c1)C(F)(F)F,0,0,0,0,0,0,0 | |
| 1645 C1CNCCN1,0,0,0,0,0,0,0 | |
| 1646 CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl,0,,0,1,0,,1 | |
| 1647 Nc1ccc(N)cc1,,,,0,0,0,0 | |
| 1648 CCCCC(CC)COC(=O)C(=C(c1ccccc1)c2ccccc2)C#N,,0,0,,,0,0 | |
| 1649 Cc1c(cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C)[N+](=O)[O-],,1,0,1,,0,1 | |
| 1650 O=C1CCCN1,0,0,0,0,0,0,0 | |
| 1651 CCCCCCCCC=CCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,0,0,0,0,0,,0 | |
| 1652 COc1ccccc1OCC(O)CO,0,0,0,0,0,0,0 | |
| 1653 CCN(CC)N(O)N=O,0,,0,0,0,,0 | |
| 1654 CC1(C)C(O)C(C)(C)C1O,0,0,0,0,0,0,0 | |
| 1655 Fc1ccc(cc1)C(OCCN2CCN(CCCc3ccccc3)CC2)c4ccc(F)cc4,,,,,,1,1 | |
| 1656 CC(C)COC(=O)COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 1657 CC(C)(N)Cc1ccc(Cl)cc1,0,0,0,0,,0,0 | |
| 1658 Cc1ccc(c(C)c1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 1659 CCCCCCC#N,0,0,0,0,0,0,0 | |
| 1660 CCCCCCCCCCCCCCN(C)C,0,0,0,0,0,0,0 | |
| 1661 OC(=O)c1ccccc1C(=O)OCc2ccccc2,,1,0,1,0,,1 | |
| 1662 CS(=O)(=O)c1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 1663 CC(C)C(N)C(=O)NCC(C)(C)SCC(=O)OC1CC(C)(C=C)C(O)C(C)C23CCC(C)C1(C)C2C(=O)CC3,,,0,,,,0 | |
| 1664 CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC,0,0,0,,0,0,0 | |
| 1665 CCCCCCCCOc1ccc(cc1)C(=O)O,,1,,,,1,1 | |
| 1666 COc1cc(N)c(Cl)cc1C(=O)NC2CN3CCC2CC3,0,0,0,0,,,0 | |
| 1667 OCC(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O,0,0,0,0,0,0,0 | |
| 1668 CC1OC(=O)C(=C1C)O,0,0,0,0,0,0,0 | |
| 1669 COC(=O)C(N)CS,0,,0,0,0,,0 | |
| 1670 COCC(C)OC(=O)C,1,,0,0,0,0,1 | |
| 1671 CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl,,1,,,,,1 | |
| 1672 Cc1ccc(C)c(c1)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 1673 CC1(CN2CCC(CC2)n3c(O)nc4ccccc34)OCc5ccccc5n6cccc16,1,1,,1,,,1 | |
| 1674 CC(N)C(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 1675 [O-][N+](=O)c1cccc(Cl)c1,0,0,0,0,0,0,0 | |
| 1676 CCC12CC(=C)C3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C,1,1,1,,1,,1 | |
| 1677 CC(Cc1ccccc1)NC(=O)NS(=O)(=O)c2ccc(C)cc2,0,,0,0,0,,0 | |
| 1678 C(=Cc1ccncc1)c2ccccc2,1,1,0,1,0,,1 | |
| 1679 CC(C)C(O)C(C)(C)COC(=O)C(C)C,0,0,0,0,0,0,0 | |
| 1680 Clc1cc(Cl)c(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 1681 c1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23,0,,0,0,0,0,0 | |
| 1682 COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1,0,0,,0,,0,0 | |
| 1683 CCCCNC(=O)NCCCC,0,0,,0,0,0,0 | |
| 1684 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)c(C)c(C)c2O1,,,0,0,0,,0 | |
| 1685 CC(C)CCC(=O)CCC(C)C,0,0,0,0,0,0,0 | |
| 1686 CC(=CC=O)C,0,0,0,0,0,0,0 | |
| 1687 CN(C)S(=O)(=O)NC1CC2C(Cc3cn(C)c4cccc2c34)N(C)C1,0,0,0,0,0,0,0 | |
| 1688 CCN(CC)CCNC(=O)COc1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 1689 CCCCCC(O)C1C(O)CC(O)CC(O)CC(O)CC(O)CC(O)C(O)C(O)C(=CC=CC=CC=CC=CC(O)C(C)OC1=O)C,0,,0,0,0,,0 | |
| 1690 O=C1C2C3CCC(C3)C2C(=O)N1CCCCN4CCN(CC4)c5ncccn5,0,0,0,0,0,0,0 | |
| 1691 CCC(C(=O)NC(=O)N)c1ccccc1,0,0,0,0,0,0,0 | |
| 1692 CC(C)(C)NCC(O)COc1cccc2CC(O)C(O)Cc12,0,0,0,0,0,,0 | |
| 1693 CN(CC1(C)CCCO1)S(=O)(=O)c2ccc(Cl)c(c2)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 1694 CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)Cc4cccc5occc45,0,0,0,0,0,,0 | |
| 1695 CN(C)C1C2C(O)C3C(=C)c4cccc(O)c4C(=C3C(=O)C2(O)C(=C(C(=O)N)C1=O)O)O,0,0,0,0,0,,0 | |
| 1696 CC(=O)NCCO,0,0,,0,0,0,0 | |
| 1697 COC(=O)c1ccccc1N,0,0,0,0,0,0,0 | |
| 1698 OCC=CCO,0,,0,0,,0,0 | |
| 1699 Cc1ccccc1C(=O)N2CCC(=NOS(=O)(=O)O)c3ccc(Cl)cc23,0,0,0,0,0,0,0 | |
| 1700 CC(CCC(O)C(C)(C)O)C1CCC2C(=CC=C3CC(O)CCC3=C)CCCC12C,,1,,0,,,1 | |
| 1701 NC(=O)c1cccc(c1)[N+](=O)[O-],0,0,0,,,0,0 | |
| 1702 CCCC1CCOC(C)S1,0,0,0,0,0,0,0 | |
| 1703 ClCCN(N=O)C(=O)NC1CCCCC1,0,0,0,0,0,,0 | |
| 1704 COC1CC(C)CC2=C(NCC=C)C(=O)C=C(NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C)C1O)C)C)C2=O,1,1,1,0,,,1 | |
| 1705 Cc1nnc2CN=C(c3ccccc3)c4cc(Cl)ccc4n12,1,1,1,1,,,1 | |
| 1706 COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC,0,0,0,0,0,0,0 | |
| 1707 CC(C)(C)c1cccc(O)c1,0,0,0,0,0,0,0 | |
| 1708 CC(CC(C#N)(c1ccccc1)c2ccccc2)N(C)C,,0,0,0,,,0 | |
| 1709 N#CCN(CCN(CC#N)CC#N)CC#N,0,0,0,0,0,0,0 | |
| 1710 CC12CCC3C(CCc4cc(O)ccc34)C1CCC2OC(=O)CCC5CCCC5,1,1,1,0,,0,1 | |
| 1711 CN(C)c1ccc2N=C3C=CC(=[N+](C)C)C=C3Sc2c1,1,,,1,,0,1 | |
| 1712 CSC(=O)c1cccc2nnsc12,0,,,0,0,0,0 | |
| 1713 CC(C)(Oc1ccc(cc1)C2CCCc3ccccc23)C(=O)O,0,,0,0,0,1,1 | |
| 1714 CCOC(=O)c1ccccc1C(=C2C=C(Br)C(=O)C(=C2)Br)c3cc(Br)c(O)c(Br)c3,1,1,,0,,1,1 | |
| 1715 CC1C2CCC3C4CC=C5CC(CCC5(C)C4CCC23CN1C)N(C)C,,0,0,0,0,0,0 | |
| 1716 CN1C(C(=O)Nc2ccccn2)C(=O)c3sc(Cl)cc3S1(=O)=O,,,0,0,0,,0 | |
| 1717 CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC,1,1,,,,,1 | |
| 1718 CC(O)CN,0,0,0,0,0,0,0 | |
| 1719 FC(F)OC(Cl)C(F)(F)F,0,0,0,0,0,0,0 | |
| 1720 OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl,,0,,0,0,,0 | |
| 1721 C(CN1CCOCC1)Cc2ccc(COc3ccccc3)cc2,,1,0,0,,0,1 | |
| 1722 CC(C)CC(C)CC(=O)CC(C)C,0,0,0,0,0,0,0 | |
| 1723 N#CCCOCCOCCC#N,0,0,0,0,0,0,0 | |
| 1724 OC1=C(C2CCC(CC2)c3ccc(Cl)cc3)C(=O)C(=O)c4ccccc14,,1,,0,,,1 | |
| 1725 CC1(OC(=CC1=O)C(=O)O)c2ccccc2,0,0,0,0,0,0,0 | |
| 1726 CN(C)P(=O)(N(C)C)N(C)C,0,0,0,0,0,0,0 | |
| 1727 CCCCCCOc1ccc(N)cc1,1,1,,,,,1 | |
| 1728 OCC1OC(Oc2ccc(CCCCCCc3ccc(OC4OC(CO)C(O)C(O)C4O)c(c3)c5cccc(CC(=O)O)c5)cc2c6cccc(CC(=O)O)c6)C(O)C(O)C1O,,0,0,0,0,0,0 | |
| 1729 CC(O)COC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 1730 C(Nc1[nH]cnc2ncnc12)c3occc3,0,1,0,0,0,,1 | |
| 1731 OS(=O)(=O)C(F)(F)F,0,0,0,0,0,0,0 | |
| 1732 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO,1,1,1,,,0,1 | |
| 1733 CCCCCCCCCCO,0,0,0,,0,0,0 | |
| 1734 O=C(OCc1ccccc1)c2cccnc2,0,,0,0,0,,0 | |
| 1735 CC(C)OC(=O)Nc1ccccc1,,0,0,,0,0,0 | |
| 1736 CC(=O)c1ccc[nH]1,0,0,0,,0,0,0 | |
| 1737 C=CC(=O)OCC1CCCO1,0,0,0,0,,0,0 | |
| 1738 Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2,1,1,,,,,1 | |
| 1739 Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O,,1,0,0,0,,1 | |
| 1740 CCC=CCCCCCCCCCCOC(=O)C,0,0,0,0,0,0,0 | |
| 1741 O=C1OC(=O)c2cc(ccc12)c3ccc4C(=O)OC(=O)c4c3,,0,0,,0,0,0 | |
| 1742 CCCCC(=O)N(C)C,0,0,,0,0,0,0 | |
| 1743 Cc1cc(Cl)ccc1N,0,0,0,0,0,0,0 | |
| 1744 COC=C(C(=O)OC)c1ccccc1COc2cccc(n2)C(F)(F)F,,1,,,1,1,1 | |
| 1745 CC1C=C(C)CCC1C=O,0,0,0,0,0,0,0 | |
| 1746 CCCCCCCCCCCCCCCCCBr,,0,0,0,0,0,0 | |
| 1747 COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)C)c(C=NN5CCN(CC5)C6CCCC6)c(O)c4c3C2=O,1,1,,,,1,1 | |
| 1748 OC1CCCN2CC(O)C(O)C12,0,,0,0,0,,0 | |
| 1749 ClCC(=C)Cl,,0,0,0,,0,0 | |
| 1750 CC(Cl)Cl,0,0,0,0,0,0,0 | |
| 1751 COC(=O)COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 1752 CC(NCCCc1cccc(c1)C(F)(F)F)c2cccc3ccccc23,,1,,,,,1 | |
| 1753 OC(=O)O,0,,0,0,0,0,0 | |
| 1754 [O-][N+](=O)OCCN(CCO[N+](=O)[O-])CCO[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 1755 CCC(C)OC(=O)c1ccc(O)cc1,,1,0,1,,0,1 | |
| 1756 CC1=CCCC(=C)C2CC(C)(C)C2CC1,0,0,0,0,0,0,0 | |
| 1757 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C)c4csc(N)n4,0,,0,0,0,,0 | |
| 1758 O=NN(c1ccccc1)c2ccccc2,0,,0,0,0,0,0 | |
| 1759 CCN(CC)C(=S)SSC(=S)N(CC)CC,,1,,,,1,1 | |
| 1760 Cc1cn(NC(=O)c2cnc(nc2C)c3ccccn3)c4ccc(F)cc14,,,0,0,0,,0 | |
| 1761 COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC,0,0,0,0,,0,0 | |
| 1762 CCCOc1ccccc1c2nc(O)c3[nH]nnc3n2,,0,0,0,0,0,0 | |
| 1763 CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3,0,1,,0,,1,1 | |
| 1764 CCC(C)C1NC2C=Cc3c(cc(nc3C2O)C(=O)OC(C)C4NC(=O)c5csc(n5)C(NC(=O)C6CSC(=N6)C(=CC)NC(=O)C(NC(=O)c7csc(n7)C8(CCC(=NC8c9csc4n9)c%10nc(cs%10)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC1=O)C(C)O)C(C)(O)C(C)O)C(C)O,1,,1,,1,1,1 | |
| 1765 [O-][N+](=O)c1ccccc1C=O,0,0,0,0,0,0,0 | |
| 1766 Oc1[nH]nc2ccccc12,,,0,0,0,1,1 | |
| 1767 CCCCC(CC)COC(=O)CS,0,,0,0,0,,0 | |
| 1768 CCCCCCCCCCCC=C,0,0,0,0,0,0,0 | |
| 1769 CCCCCCCCCCCCc1ccccc1O,,1,,,,1,1 | |
| 1770 CCCC(=O)OCC,0,0,0,0,0,0,0 | |
| 1771 Cc1ccc(O)c(c1)[N+](=O)[O-],0,,0,0,,0,0 | |
| 1772 CCOc1ccc(N)c(c1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 1773 CC1CCc2c(C)coc2C1,,0,0,0,0,0,0 | |
| 1774 ClC(Br)Br,,0,0,0,,0,0 | |
| 1775 CC(C)(N=C=O)c1cccc(c1)C(C)(C)N=C=O,0,0,0,0,0,0,0 | |
| 1776 OCCOc1ccc(OCCO)cc1,,0,0,0,0,0,0 | |
| 1777 COCCOCCOCCOC,0,0,0,0,0,0,0 | |
| 1778 CC(C)NCC(O)COc1cccc2ccccc12,0,0,0,0,,,0 | |
| 1779 CC(=C)C(=O)OCC1CCCO1,0,0,0,0,0,0,0 | |
| 1780 CCCCS,,0,0,0,0,0,0 | |
| 1781 CCC(CC)C(C)CCOC(=O)C,0,0,0,0,0,0,0 | |
| 1782 O=C1Nc2ccccc2C(=O)O1,0,0,0,0,0,0,0 | |
| 1783 CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C,1,1,,0,1,1,1 | |
| 1784 CCCCCCCCCCCCSC#N,1,0,,,1,0,1 | |
| 1785 CCC(CC)CO,,0,0,0,0,0,0 | |
| 1786 CC1=CCCC(C)(C)C1C=CC(=O)CCC=C,0,0,0,0,,0,0 | |
| 1787 OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O,0,0,0,0,0,0,0 | |
| 1788 CC(=O)OCC1=C(N2C(SC1)C(NC(=O)Cc3ccccc3)C2=O)C(=O)O,0,,0,0,0,,0 | |
| 1789 CCCCCCC(=O)c1ccccc1,0,,0,,0,0,0 | |
| 1790 COc1ccc(C=CC)cc1,0,0,0,0,0,0,0 | |
| 1791 Nc1oc(nn1)c2oc(cc2)[N+](=O)[O-],,,0,,0,0,0 | |
| 1792 CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc3ccccc13,,0,0,0,0,0,0 | |
| 1793 CC(C)OC=O,0,0,0,0,0,0,0 | |
| 1794 CCCCCCCCCCCCN(CCO)CCO,,1,,,,,1 | |
| 1795 NC(=O)c1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 1796 OCCCCCO,0,0,0,0,0,0,0 | |
| 1797 CCCCCCCC#N,0,0,0,0,0,0,0 | |
| 1798 CC(C)(CO)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 1799 CCCCN1C(=O)C(NC(=O)C12CCN(Cc3ccc(Oc4ccc(cc4)C(=O)O)cc3)CC2)C(O)C5CCCCC5,1,,,0,,,1 | |
| 1800 Cc1cccc(C)c1Nc2ncccc2C(=O)O,1,1,0,1,1,,1 | |
| 1801 CCCCCc1cc(O)cc(O)c1,1,1,1,,,1,1 | |
| 1802 CCCCCCCCC(CO)CCCCCC,0,0,0,0,0,0,0 | |
| 1803 OC(=O)CN(CC(=O)O)CC1=CC2C(=CC1=O)Oc3cc(O)c(CN(CC(=O)O)CC(=O)O)cc3C24OC(=O)c5ccccc45,,,,0,0,,0 | |
| 1804 ClS(=O)(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 1805 CC(=O)OC1(C(=O)C)C(=C)CC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C,1,,1,1,1,0,1 | |
| 1806 OC(=O)C1CSCN1C(=O)C2CCC(=O)N2,0,,0,0,0,,0 | |
| 1807 CC(C)Nc1nc(Cl)nc(NC(C)C)n1,0,0,0,0,0,0,0 | |
| 1808 OCl(=O)=O,0,0,0,0,0,0,0 | |
| 1809 BrCCC(=O)N1CCN(CC1)C(=O)CCBr,0,0,0,0,0,0,0 | |
| 1810 COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1,,0,0,0,,,0 | |
| 1811 [O-][N+](=O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 1812 CCNc1cc2OC3=CC(=NCC)C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C,1,1,,1,,,1 | |
| 1813 CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1,,1,,,,,1 | |
| 1814 c1ccc2ncccc2c1,0,0,0,0,0,0,0 | |
| 1815 C[N+]1([O-])C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4,0,,0,0,0,,0 | |
| 1816 Oc1c(Cl)cc(Cl)cc1Sc2cc(Cl)cc(Cl)c2O,,1,,,,,1 | |
| 1817 Cc1cccc(c1C)S(=O)(=O)O,0,0,0,0,0,,0 | |
| 1818 CNC1C(O)C(O)C(CO)OC1OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)CO,0,,0,0,0,,0 | |
| 1819 CC(Oc1ccc(Oc2ncc(Cl)cc2F)cc1)C(=O)OCC#C,1,,1,0,0,0,1 | |
| 1820 O=CCCc1ccccc1,0,0,0,0,0,0,0 | |
| 1821 [O-][N+](=O)c1ccc(C=CC(=O)c2ccccc2)cc1,,1,,1,,0,1 | |
| 1822 CN(C)c1ccc(C)cc1,0,0,0,,0,0,0 | |
| 1823 COC1(NC(=O)CSCC#N)C2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C,0,0,0,0,0,0,0 | |
| 1824 CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccn2)C(C)C,0,0,0,0,0,0,0 | |
| 1825 CC(C)NC(=O)c1ccc(C=O)cc1,,1,,,,,1 | |
| 1826 CCCCCCCCCCCCCCCCN(C)C,0,0,0,0,0,0,0 | |
| 1827 CCCCCC=CCC=CCCCCCCCC(=O)NC(C)c1ccccc1,,1,,0,0,1,1 | |
| 1828 NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 1829 [O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1,0,0,0,,0,0,0 | |
| 1830 CNCCO,0,0,0,0,0,0,0 | |
| 1831 CNC(C)(C)Cc1ccccc1,,0,0,0,0,0,0 | |
| 1832 CN1C(=O)CC(C1=O)c2ccccc2,,0,0,0,0,0,0 | |
| 1833 Cc1cccc(C)c1NC2=NCCCS2,0,0,0,0,0,0,0 | |
| 1834 CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl,0,0,0,1,,,1 | |
| 1835 COc1ccc(cc1)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2,0,0,0,0,0,0,0 | |
| 1836 CC(=C)C(=O)O,0,0,0,0,0,0,0 | |
| 1837 CN(C)C=O,0,0,0,0,0,0,0 | |
| 1838 CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC,,,,,,1,1 | |
| 1839 COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c2ccccc2,,0,,1,,,1 | |
| 1840 CC(=O)OCC=Cc1ccccc1,0,0,0,0,0,0,0 | |
| 1841 CC1(C)SC2C(NC(=O)C3(N)CCCCC3)C(=O)N2C1C(=O)O,0,,0,0,0,,0 | |
| 1842 CCCCCCCCCCC(CO)CCCCCCCC,0,0,0,0,0,0,0 | |
| 1843 OCCS(=O)(=O)O,0,0,0,0,0,0,0 | |
| 1844 CC(=O)C=Cc1ccccc1,0,0,0,0,0,0,0 | |
| 1845 O=C(OCCCCCOC(=O)c1ccccc1)c2ccccc2,,1,0,0,0,,1 | |
| 1846 CC(C)CNCC(C)C,0,0,0,0,0,0,0 | |
| 1847 [O-][N+](=O)c1ccc2ncccc2c1,0,0,0,0,0,0,0 | |
| 1848 CC(C)CCCCCOC(=O)CS,0,0,0,,0,0,0 | |
| 1849 CCCCCCCCCCN,0,0,0,0,0,0,0 | |
| 1850 COc1ccccc1OCC(O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2,0,0,0,0,0,0,0 | |
| 1851 CC(=CCCC(C)(O)C=C)C,0,0,0,0,0,0,0 | |
| 1852 COCCO,0,0,0,0,0,0,0 | |
| 1853 CC1CC(CC2CCC(N)C(C)C2)CCC1N,,,0,,,0,0 | |
| 1854 [O-][N+](=O)c1ccccc1[N+](=O)[O-],1,0,,,1,1,1 | |
| 1855 COC(=O)C(N1CCc2sccc2C1)c3ccccc3Cl,0,1,,0,0,0,1 | |
| 1856 NCCCCC(NC(=O)C1CCCN1C(=O)C2CSSCC(NC(=O)CNC(=O)CNC(=O)CN)C(=O)NC(Cc3ccc(O)cc3)C(=O)NC(Cc4ccccc4)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)N2)C(=O)NCC(=O)N,0,,0,0,0,,0 | |
| 1857 CC1CNC2C(C1)OC3(CCC4C5CC=C6CC(O)CCC6(C)C5CC4=C3C)C2C,0,0,,,,0,0 | |
| 1858 CN1CCCN=C1COC(=O)C(O)(C2CCCCC2)c3ccccc3,0,0,0,0,,0,0 | |
| 1859 CC(C)OS(=O)(=O)C,0,0,0,0,0,0,0 | |
| 1860 CC(C)(C)c1cc(cc(c1O)C(C)(C)C)[N+](=O)[O-],,,,,,0,0 | |
| 1861 COC(=O)C1(O)c2ccccc2c3ccccc13,0,0,0,0,0,0,0 | |
| 1862 CCN(CC)C(=O)c1ccc(O)c(OC)c1,0,0,0,0,0,0,0 | |
| 1863 CN(C)c1ccc2c(ccc(C=Cc3cc(C)n(c3C)c4ccccc4)[n+]2C)c1,,1,,,,,1 | |
| 1864 NC(=O)O,0,0,0,0,0,0,0 | |
| 1865 Cc1cc(c(O)c(c1)C(C)(C)C)n2nc3ccc(Cl)cc3n2,0,0,0,0,0,0,0 | |
| 1866 ClCN1N=Nc2ccccc2C1=O,0,0,0,0,0,0,0 | |
| 1867 C=CCN=C=S,0,0,0,0,0,0,0 | |
| 1868 COC(=O)Nc1nc2ccccc2[nH]1,,0,0,1,1,,1 | |
| 1869 CC1CC(=O)CC(C)(C)C1,0,0,0,0,0,0,0 | |
| 1870 BrC(Br)C#N,0,0,0,0,0,0,0 | |
| 1871 ClC(=O)C=CC(=O)Cl,,0,0,0,,0,0 | |
| 1872 OCc1cccnc1,0,0,0,0,0,0,0 | |
| 1873 CC(C)(Cl)Cl,0,0,0,0,0,0,0 | |
| 1874 NCCNc1cccc2ccccc12,0,0,0,,,0,0 | |
| 1875 CCCCC(=O)OCC(=O)C1C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,1,,1,1,,0,1 | |
| 1876 O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5ccncc5,0,0,0,0,0,0,0 | |
| 1877 CC(=O)CCc1ccc2OCOc2c1,0,0,0,0,0,0,0 | |
| 1878 FC(F)(F)c1cccc(CC#N)c1,0,0,0,0,0,0,0 | |
| 1879 NC(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3,0,0,0,0,0,0,0 | |
| 1880 OCCN(CCO)c1nc(Nc2ccc(cc2)S(=O)(=O)O)nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6ccc(cc6)S(=O)(=O)O)nc(n5)N(CCO)CCO)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O)n1,,,,0,0,1,1 | |
| 1881 [O-][N+](=O)c1c(Cl)c(Cl)cc(Cl)c1Cl,0,,0,0,0,1,1 | |
| 1882 CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1COCC(F)(F)F,0,0,0,0,0,0,0 | |
| 1883 CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1,0,,0,0,0,,0 | |
| 1884 [O-][N+](=O)c1cccc2cccc(c12)[N+](=O)[O-],,1,,,1,1,1 | |
| 1885 CCNc1ccccc1,0,0,0,0,0,0,0 | |
| 1886 CC(C)NCC(O)c1ccc(O)c(O)c1,0,0,0,0,0,0,0 | |
| 1887 CCCCOC(O)CC,0,0,0,0,0,0,0 | |
| 1888 CCCCCOC(=O)CCC,0,0,0,0,0,0,0 | |
| 1889 CC(C)Oc1ccc2C(=O)C(=COc2c1)c3ccccc3,1,1,,1,,0,1 | |
| 1890 CCCCCCCCCCCCCBr,0,0,0,0,0,0,0 | |
| 1891 NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC3OC(CO)C(O)C(N)C3O,0,0,0,0,0,0,0 | |
| 1892 COCCOCCOCCOCCOC,0,0,0,0,0,0,0 | |
| 1893 CCN(CC)Cc1nccn1c2ccc(cc2C(=O)c3ccccc3Cl)[N+](=O)[O-],0,,0,0,,0,0 | |
| 1894 OCC1OC(CC1O)n2cnc3C(O)CN=CNc23,0,,0,0,0,,0 | |
| 1895 CCCCCCNC(=O)N1C=C(F)C(=O)NC1=O,0,0,,0,1,,1 | |
| 1896 CON(C(=O)OC)c1ccccc1COc2ccn(n2)c3ccc(Cl)cc3,,1,,,1,,1 | |
| 1897 CN(C)c1ccc(SC#N)cc1,1,,1,,,1,1 | |
| 1898 CC1(C)SC2C(NC(=O)C(N=C)c3ccccc3)C(=O)N2C1C(=O)O,0,,0,0,0,,0 | |
| 1899 CCN(CC)CCOC(=O)C(CC1CCCO1)Cc2cccc3ccccc23,0,0,0,0,,0,0 | |
| 1900 OC(=O)c1nc(Cl)ccc1Cl,0,0,0,0,0,0,0 | |
| 1901 OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3O,,,0,0,0,0,0 | |
| 1902 COc1ccc(COC(=O)C)cc1,0,0,0,0,0,0,0 | |
| 1903 CC(C)OC(=O)NC(C(C)C)C(=O)NC(C)c1ccc(C)cc1,0,,0,0,0,0,0 | |
| 1904 CCCSC(=O)N(CCC)CCC,0,0,0,0,0,0,0 | |
| 1905 CCC1(CCC(=O)NC1=O)c2ccccc2,0,0,,0,0,0,0 | |
| 1906 CCN1CCc2oc(N)nc2CC1,,,0,0,0,0,0 | |
| 1907 CN(C)CC=C(c1ccc(Br)cc1)c2cccnc2,0,0,0,0,,0,0 | |
| 1908 Cc1cc(C)c(cc1C)N=Nc2c(O)c(cc3cc(ccc23)S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 1909 COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC,0,,0,0,0,,0 | |
| 1910 CN1CCC(=C2c3ccccc3Sc4ccccc24)CC1,,,,,,0,0 | |
| 1911 Cn1cc(C(=O)C2CCc3[nH]cnc3C2)c4ccccc14,0,0,0,0,,0,0 | |
| 1912 CCCCCCCCCCCCCCC1CO1,0,0,0,0,0,0,0 | |
| 1913 CCCCCCCCCCCCCCOS(=O)(=O)O,1,0,,0,,0,1 | |
| 1914 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3OC(=O)CC)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O,0,0,,0,,,0 | |
| 1915 CCCCN1C(=O)c2ccccc2C1=O,0,0,0,0,0,0,0 | |
| 1916 CN(C)CCC(c1ccc(Br)cc1)c2ccccn2,,0,0,0,,0,0 | |
| 1917 Cc1ccc2cc(C)ccc2c1,0,0,0,0,0,0,0 | |
| 1918 CN(CCCCCCCCCCN(C)C(=O)Oc1ccccc1[N+](C)(C)C)C(=O)Oc2ccccc2[N+](C)(C)C,0,,,0,0,,0 | |
| 1919 CCN(CC)C(=O)C(=Cc1cc(O)c(O)c(c1)[N+](=O)[O-])C#N,,0,0,0,,0,0 | |
| 1920 CC(=O)OCc1ccc2OCOc2c1,0,0,0,0,0,0,0 | |
| 1921 Fc1ccc(cc1)C(=O)C2CCN(CCN3C(=O)Nc4ccccc4C3=O)CC2,,0,0,0,0,0,0 | |
| 1922 [O-][N+](=O)c1ccccc1C(=O)Cl,0,0,0,0,,0,0 | |
| 1923 CCc1cccc(O)c1,0,0,0,0,0,0,0 | |
| 1924 C1Cc2ccccc2Nc3ccccc13,,1,0,0,,0,1 | |
| 1925 CCO,0,0,0,0,0,0,0 | |
| 1926 CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)O)C=C3)c5ccc(O)cc5S(=O)(=O)O,,,0,,,0,0 | |
| 1927 CC(=C)C1CCC(=CC1)C=O,0,0,0,0,0,0,0 | |
| 1928 CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC,,0,0,0,0,0,0 | |
| 1929 CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC,0,0,0,0,0,0,0 | |
| 1930 CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1,0,,0,0,0,,0 | |
| 1931 Clc1cc(Cl)cc(Cl)c1,0,0,0,0,0,0,0 | |
| 1932 Cc1ccc2cc3c(ccc4ccccc34)c5CCc1c25,1,1,0,,,,1 | |
| 1933 ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,1,0,,,,0,1 | |
| 1934 O=C1NS(=O)(=O)c2ccccc12,0,0,0,0,0,0,0 | |
| 1935 O=Cc1oc2ccccc2c1,0,0,0,0,0,0,0 | |
| 1936 Cc1nnc2CN=C(c3ccccc3Cl)c4cc(CCC(=O)N5CCOCC5)sc4n12,0,0,0,0,0,0,0 | |
| 1937 CC(C)C(C)C=CC(C)C1CCC2C(=CC=C3CC(O)CCC3=C)CCCC12C,1,,1,0,,,1 | |
| 1938 COCC(=O)Nc1cc(Sc2ccccc2)ccc1N=C(NC(=O)OC)NC(=O)OC,1,,0,0,,,1 | |
| 1939 CCOC(=O)c1ccccc1N,0,0,0,0,0,0,0 | |
| 1940 CCCCCCOC(=O)CCCCC(=O)OCCCCCC,0,0,0,0,0,0,0 | |
| 1941 Fc1ccc(cc1)n2cc(C3CCN(CCN4CCNC4=O)CC3)c5cc(Cl)ccc25,,1,,,,,1 | |
| 1942 CC(N)C(=O)N(CCCc1cccnc1)c2c(C)cccc2C,0,,0,1,,,1 | |
| 1943 OCCCO,0,0,0,0,0,0,0 | |
| 1944 CCCCCCCCC,0,0,0,0,0,0,0 | |
| 1945 CCCCCCCCCCCCCCCCC=CC1CC(=O)OC1=O,,0,0,0,,1,1 | |
| 1946 CC(=O)CCl,0,0,0,0,0,0,0 | |
| 1947 CCCCCCOC(=O)C=C,0,0,0,0,0,0,0 | |
| 1948 OC(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I,0,0,0,0,0,0,0 | |
| 1949 CC12CCC3C(=CCc4cc(O)ccc34)C1CCC2=O,,1,1,1,1,,1 | |
| 1950 COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl,1,1,1,1,,1,1 | |
| 1951 CCOc1ccc2NC(C)(C)CC(C)c2c1,0,,0,0,0,0,0 | |
| 1952 COP(=O)(N)SC,0,0,0,0,0,0,0 | |
| 1953 CCOC(=O)Nc1ccc2CCc3ccccc3N(C(=O)CN(C)C)c2c1,0,,0,0,,,0 | |
| 1954 COC(=O)C,0,0,0,0,0,0,0 | |
| 1955 CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C)C(=O)C,1,1,1,1,0,,1 | |
| 1956 Oc1ccccc1O,1,1,,,,0,1 | |
| 1957 CCNC(=O)NCc1cccc(Cl)c1,0,0,0,0,0,0,0 | |
| 1958 COC1C(CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC)OC(=O)C=Cc6cc(OC)c(OC)c(OC)c6,0,,0,,,,0 | |
| 1959 CCCCCCCCCO,0,0,0,0,0,0,0 | |
| 1960 CCC(C)OC(=O)N1CCCCC1CCO,0,0,0,0,0,0,0 | |
| 1961 CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0,0,0,0,,0,0 | |
| 1962 CCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)c(c1)C(=O)OCCCCCCCC,,,0,0,0,0,0 | |
| 1963 CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I,0,,0,0,0,,0 | |
| 1964 C(SCc1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 1965 COc1ccc(C=CC(=O)O)cc1,0,,0,0,0,,0 | |
| 1966 CC(C)OC(=O)Cc1ccccc1,0,0,0,0,0,0,0 | |
| 1967 CC(C)NCC(O)c1cc(O)cc(O)c1,0,0,0,0,0,0,0 | |
| 1968 COC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 1969 CC(C)(O)c1ccccc1,,0,0,,0,0,0 | |
| 1970 CON=C(C(=O)OC)c1ccccc1COc2ccccc2C,,,1,,1,1,1 | |
| 1971 O=C1CCCCO1,0,0,0,0,0,0,0 | |
| 1972 NCc1ccccc1,0,0,0,0,0,0,0 | |
| 1973 c1ccc2c(c1)c3cccc4c5ccccc5cc2c34,1,,1,0,0,1,1 | |
| 1974 ClC(Cl)C(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O,1,,,,,,1 | |
| 1975 CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(=O)O,1,1,0,1,,0,1 | |
| 1976 CCOC(=O)CBr,0,0,0,0,,0,0 | |
| 1977 Cc1ccn2nc(nc2n1)S(=O)(=O)Nc3c(F)cccc3F,,0,0,0,0,0,0 | |
| 1978 COc1[nH]c(N)nc2ncnc12,0,0,0,0,0,0,0 | |
| 1979 CN(N=O)C(=N)N[N+](=O)[O-],0,1,0,,1,,1 | |
| 1980 CCOC(=O)C(F)(F)F,0,0,0,0,0,0,0 | |
| 1981 Cn1cc(C2=C(C(=O)NC2=O)c3cn(C4CCN(Cc5ccccn5)CC4)c6ccccc36)c7ccccc17,,1,1,0,0,1,1 | |
| 1982 CC(C(O)c1ccc(O)cc1)N2CCC(Cc3ccccc3)CC2,,,0,0,,0,0 | |
| 1983 Clc1cccc(n1)C(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 1984 NC(=O)Nc1ccccc1,0,0,0,0,0,,0 | |
| 1985 CCCCCCC(O)CCCCCCCCCCC(=O)OC,,0,0,0,0,,0 | |
| 1986 CC(=O)CN(CC(=O)C)N=O,0,0,,0,0,0,0 | |
| 1987 CC12CCCC(C)(C1CCC34CC(C(CC23)OC5OC(CO)C(O)C(OC6OC(CO)C(O)C(O)C6O)C5OC7OC(CO)C(O)C(O)C7O)C(=C)C4)C(=O)OC8OC(CO)C(O)C(O)C8O,0,0,0,0,0,0,0 | |
| 1988 CC(C)CC(NC(=O)C(COC(C)(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc4c[nH]cn4)NC(=O)C5CCC(=O)N5)C(=O)NC(CCCN=C(N)N)C(=O)N6CCCC6C(=O)NNC(=O)N,0,,0,0,0,,0 | |
| 1989 Cc1ccccc1O,0,0,0,0,0,0,0 | |
| 1990 CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 1991 C(C1=NCCN1)c2ccc3ccccc3c2,0,0,0,0,0,0,0 | |
| 1992 CCNS(=O)(=O)c1ccc(C)cc1,0,0,0,0,0,0,0 | |
| 1993 COc1ccc(C=O)cc1,0,0,0,0,0,0,0 | |
| 1994 Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3,0,0,0,0,,0,0 | |
| 1995 CCN(CC)C(=S)SCC(=C)Cl,0,0,0,,1,0,1 | |
| 1996 CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,0,,0,0,0,,0 | |
| 1997 O=C(Oc1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 1998 CC1=CCC2C(C1)C2(C)C,0,0,,,,,0 | |
| 1999 Nc1ccc(cc1)C(=O)O,0,0,0,0,0,0,0 | |
| 2000 FC(F)(F)c1ccc(Cl)c(C(=O)NC(C2CN3CCC2CC3)c4ccccc4)c1Cl,1,1,0,,,1,1 | |
| 2001 COc1ccc(N)c(c1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 2002 Oc1c(cc(c2ccc(cc12)S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-],0,,0,0,,0,0 | |
| 2003 CCN(C)N=O,0,0,0,0,0,0,0 | |
| 2004 CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c2ccccc2,0,,0,0,0,,0 | |
| 2005 CCCCCCCCCCC(=O)O,1,,,0,,0,1 | |
| 2006 N=C(Nc1ccccc1)Nc2ccccc2,1,1,0,,0,0,1 | |
| 2007 CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC,,1,0,0,0,,1 | |
| 2008 CC12CC3CC(C)(C1)CC(N)(C3)C2,,0,0,0,,0,0 | |
| 2009 CCOC(=O)COc1cc(N2N=CC(=C(C)C2=O)C(F)(F)F)c(F)cc1Cl,0,0,0,0,0,0,0 | |
| 2010 CC(C)(C)NC(=O)C1CN(Cc2cccnc2)CCN1CC(O)CC(Cc3ccccc3)C(=O)NC4C(O)Cc5ccccc45,0,,,,0,0,0 | |
| 2011 CC=C(C)C(=O)OCc1ccccc1,0,0,0,0,0,0,0 | |
| 2012 N#CCNCC#N,0,0,0,0,,0,0 | |
| 2013 OC(=O)c1ccccc1OP(=O)(O)O,0,0,0,0,0,0,0 | |
| 2014 ClCCOC(=O)C=C,0,0,0,0,0,0,0 | |
| 2015 CNC(=O)N(C)c1nc2ccccc2s1,1,1,0,1,,0,1 | |
| 2016 CNC1CCCN(C1)c2c(F)cc3C(=O)C(=CN(C4CC4)c3c2OC)C(=O)O,0,0,0,0,0,0,0 | |
| 2017 CN(C)CCOC(=O)C(OCC#C)(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 2018 Oc1cccc(Cl)c1Cl,0,0,0,0,,0,0 | |
| 2019 CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(O)C(C2O)N(C)C)C(CCN3CC(C)CC(C)C3)CC(C)C(=O)C=CC(=CC1COC4OC(C)C(O)C(OC)C4OC)C,0,,0,0,0,,0 | |
| 2020 C[n+]1c(cc(c2ccccc2)n1C)c3ccccc3,1,1,,,,0,1 | |
| 2021 CCCCCCCCOCCC#N,0,0,0,0,0,0,0 | |
| 2022 Brc1ccc(cc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 2023 CN1CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3,0,,0,0,,,0 | |
| 2024 CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,0,0,0,0,0,0,0 | |
| 2025 OC(=O)CC(=CC(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 2026 CC(C)N1CCN(CC1)c2ccc(OCC3COC(Cn4cncn4)(O3)c5ccc(Cl)cc5Cl)cc2,,,0,,,,0 | |
| 2027 CCN(CC)CCOCC1OC(O)C(OCCN(CC)CC)C(O)C1O,0,,0,0,0,,0 | |
| 2028 CC(=O)NC(Cc1ccc(O)cc1)C(=O)O,0,0,0,0,0,0,0 | |
| 2029 Nc1ccccc1N,1,,1,,1,0,1 | |
| 2030 CCCCCC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)C(F)(F)F,0,0,0,0,0,0,0 | |
| 2031 CC1(C)OC(=O)NC1=O,0,0,0,0,0,0,0 | |
| 2032 O=C1C=C(Oc2ccc3ccccc3c12)c4ccccc4,1,1,,1,1,0,1 | |
| 2033 CNC(C)Cc1ccccc1,0,,0,0,0,,0 | |
| 2034 FC(F)(F)c1ccccc1Cl,0,0,0,0,0,0,0 | |
| 2035 OC1OC(=O)C(=C1C(Cl)Cl)Cl,1,,,,,1,1 | |
| 2036 COc1cc(CCN)cc(OC)c1OC,0,0,,1,0,0,1 | |
| 2037 COC(=O)CCCCCCCC(=O)OC,0,0,0,0,0,0,0 | |
| 2038 OC(=O)c1ccc(Cl)cc1Cl,,0,0,0,0,0,0 | |
| 2039 ClC(Cl)C(Cl)Cl,,0,0,0,0,0,0 | |
| 2040 CC(=O)OCC1OC(OC2C(O)C(OC(=O)c3ccccc3C(=O)O)C(O)OC2COC(=O)C)C(O)C(OC(=O)c4ccccc4C(=O)O)C1O,0,,0,0,0,,0 | |
| 2041 CC(C)C[P+](C)(CC(C)C)CC(C)C,0,0,0,0,0,0,0 | |
| 2042 Cc1ccc(N)cc1Cl,0,,0,0,0,0,0 | |
| 2043 Nc1ccc(Sc2ccc(N)cc2)cc1,0,1,0,,0,,1 | |
| 2044 CCCCCCCC[N+](C)(C)CCCCCCCC,,1,,,,1,1 | |
| 2045 Oc1ccc(Br)c(C=O)c1,,1,,1,0,,1 | |
| 2046 CC(C)NCC(O)c1ccc(NS(=O)(=O)C)cc1,0,0,0,0,0,0,0 | |
| 2047 CC(C)CC1N2C(=O)C(NC(=O)C3CC4C(Cc5c[nH]c6cccc4c56)N(C)C3)(OC2(O)C7CCCN7C1=O)C(C)C,0,,,0,,,0 | |
| 2048 CCc1cccc2c3CCOC(CC)(CC(=O)O)c3[nH]c12,0,0,0,0,0,0,0 | |
| 2049 CC(N)C(=O)O,,,,0,,0,0 | |
| 2050 CC(C)Nc1nc(N)nc(Cl)n1,0,,0,0,,0,0 | |
| 2051 CN1CCN=C(c2ccccc2)c3cc(Cl)ccc13,0,,,0,0,,0 | |
| 2052 CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13,,,,0,,1,1 | |
| 2053 CCN1CC(CCN2CCOCC2)C(C1=O)(c3ccccc3)c4ccccc4,0,0,0,0,0,0,0 | |
| 2054 COc1ccc(cc1OC)C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2,0,0,0,0,0,0,0 | |
| 2055 CCC(=O)N(C1CCN(Cc2ccccc2)CC1)c3ccccc3,0,0,0,0,,,0 | |
| 2056 Cc1ncc(cn1)C(CCCCCCc2ccc3CCCNc3n2)CC(=O)O,,1,,0,0,0,1 | |
| 2057 CCC(O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2,0,0,0,0,1,,1 | |
| 2058 Nc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],,,0,0,0,0,0 | |
| 2059 CC(=O)C1=C(O)C=C(C)OC1=O,0,0,0,0,0,0,0 | |
| 2060 CC(=O)CC(=O)Nc1ccccc1C,0,0,0,0,0,0,0 | |
| 2061 NCCCN1CCOCC1,0,0,0,0,0,0,0 | |
| 2062 Cc1ccccc1[N+](=O)[O-],0,0,0,,0,0,0 | |
| 2063 CCC(Cl)CCC(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CCl,0,0,0,0,0,0,0 | |
| 2064 CNC(=O)c1ccccc1Sc2ccc3c(C=Cc4ccccn4)[nH]nc3c2,1,1,,1,1,,1 | |
| 2065 C=CCSSCC=C,0,0,0,,0,0,0 | |
| 2066 COC(=O)CCC[N+](C)(C)C,0,,0,0,0,,0 | |
| 2067 O=C(CCCCCCCCc1cccnc1)N2CCC(CC2)C=C(c3ccccc3)c4ccccc4,0,1,,,,,1 | |
| 2068 CCOC(=O)CC(C(=O)C)C(=O)C,0,0,0,0,0,0,0 | |
| 2069 CCCc1ccc(cc1)C(=O)O,0,,0,0,0,,0 | |
| 2070 OC(=O)C1CCn2c1ccc2C(=O)c3ccccc3,0,,0,0,0,0,0 | |
| 2071 OC(=O)CCCCC=C(c1ccccc1)c2cccnc2,0,,0,0,0,,0 | |
| 2072 CCCCC(CC)C(=O)OCCOCCOCCOCCOC(=O)C(CC)CCCC,,0,0,1,,,1 | |
| 2073 Nc1ccc(O)cc1,1,,,1,,1,1 | |
| 2074 CC(C)CCCCCCCOC(=O)C=C,0,0,0,0,0,0,0 | |
| 2075 OP(=O)(O)c1ccccc1,0,0,0,0,0,0,0 | |
| 2076 CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c4ccc(OC)cc24)CC1)NC(=O)c5ccccc5,,1,,,,,1 | |
| 2077 CSCCC(N)C(=O)O,0,,0,0,0,,0 | |
| 2078 COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)C)cc(O)c4c3C2=O,0,,,0,0,,0 | |
| 2079 CC(=O)SCc1occc1,0,0,0,0,0,0,0 | |
| 2080 COC(=C1C(C(=C(C)N=C1C)C(=O)OCCN2CCN(CC2)C(c3ccccc3)c4ccccc4)c5cccc(c5)[N+](=O)[O-])O,1,1,1,,,1,1 | |
| 2081 CC(=C)C(=O)OCCO,0,0,0,0,0,0,0 | |
| 2082 C1CCC(CC1)SSC2CCCCC2,0,0,0,0,0,0,0 | |
| 2083 OCCc1ccccc1[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 2084 Oc1c(I)cc(c2cccnc12)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 2085 CCc1ccc(C=O)cc1,0,0,0,0,0,0,0 | |
| 2086 OCCBr,0,0,0,0,0,,0 | |
| 2087 OC(=O)CCCCCCCCCCCBr,,0,0,1,0,,1 | |
| 2088 Nc1cccc(N)n1,0,0,,0,0,0,0 | |
| 2089 NC(CC(=O)O)C(=O)O,,,0,0,0,,0 | |
| 2090 CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)ccc13,0,0,0,0,,0,0 | |
| 2091 Nc1c(cc(c2ccccc12)S(=O)(=O)O)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)S(=O)(=O)O,1,,1,,,,1 | |
| 2092 Cc1cnc(S)nc1O,0,0,0,0,0,0,0 | |
| 2093 CN(C)CCC=C1c2ccccc2COc3ccc(CC(=O)O)cc13,0,0,0,0,0,0,0 | |
| 2094 COS(=O)(=O)OC,0,0,0,0,0,0,0 | |
| 2095 NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(=O)(=O)N,,,0,0,0,,0 | |
| 2096 CCCCCCCCCCCCN(C)C,0,0,0,0,0,0,0 | |
| 2097 COc1ccc(cc1)C(=O)Nc2nc3ccccc3c(NCc4ccccc4)c2C#N,1,1,1,,,1,1 | |
| 2098 Nc1cc(C(=O)O)c(O)c(c1)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 2099 OC12CC3CC(C1)C(=O)C(C3)C2,0,,0,0,0,,0 | |
| 2100 CC(C)(N)C1CCC(C)(N)CC1,0,0,0,0,,0,0 | |
| 2101 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC,1,,1,1,1,,1 | |
| 2102 CCCO,0,0,0,0,0,0,0 | |
| 2103 OCc1ccccn1,,,0,0,,0,0 | |
| 2104 NC(Cc1ccc(F)cc1)C(=O)O,0,0,0,0,,0,0 | |
| 2105 Oc1nc2ccccc2n1C3CCN(CCCC(=O)c4ccc(F)cc4)CC3,0,,0,0,0,0,0 | |
| 2106 CC(C)c1ccc(cc1)C#N,0,0,0,0,,0,0 | |
| 2107 CCN(CC)C(=O)NC1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34,1,,0,,,0,1 | |
| 2108 Clc1cc(Cl)c(OCC#CI)cc1Cl,,1,1,,,,1 | |
| 2109 CCCCCCCCC=CCCCCCCCC(=O)N,0,0,0,0,,1,1 | |
| 2110 COc1ccccc1Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)nc(nc2OCCO)c4ncccn4,,0,0,0,0,,0 | |
| 2111 CCOC(=O)C(CCc1ccccc1)NC2CCc3ccccc3N(CC(=O)O)C2=O,1,,,,,,1 | |
| 2112 CC1OC(OC2CC(O)C3(CO)C4C(O)CC5(C)C(CCC5(O)C4CCC3(O)C2)C6=CC(=O)OC6)C(O)C(O)C1O,1,1,,1,0,,1 | |
| 2113 CC(CN=Cc1ccccc1O)N=Cc2ccccc2O,0,0,0,0,0,0,0 | |
| 2114 Cc1ccc(cc1N)C(=O)N,0,0,0,0,0,0,0 | |
| 2115 CCCCCCCCCCCCCCCCCCNC(=O)OC1CCN(CC1)C(=O)OCC(COC(=O)N(Cc2cccc[n+]2CC)C(=O)c3ccccc3OC)OC,,1,,,,,1 | |
| 2116 Clc1ccc(C=NNC(=N)NN=Cc2ccc(Cl)cc2)cc1,0,,0,0,,0,0 | |
| 2117 Clc1ccc(CON=C(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1,1,1,,1,,,1 | |
| 2118 OCC(O)COc1ccc(Cl)cc1,0,,0,0,0,,0 | |
| 2119 Oc1ccc(Oc2ccccc2)cc1,1,1,,,,1,1 | |
| 2120 [O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,,,,,0,,0 | |
| 2121 [O-][N+](=O)c1cccc(Cl)c1Cl,0,0,0,0,0,0,0 | |
| 2122 CCCCCCC(O)CC=CCCCCCCCC(=O)O,0,,0,0,0,,0 | |
| 2123 O=C(Cc1ccccc1)c2ccccc2,0,,0,0,0,0,0 | |
| 2124 CN1CCC=C1NC(=O)Nc2c(C)cccc2C,0,,0,0,0,,0 | |
| 2125 O=C1NC(=O)NC(=O)N1,0,0,0,0,0,0,0 | |
| 2126 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,0,0,0,0,0,0,0 | |
| 2127 C=CC(=O)OCCOC(=O)C=C,,1,,0,,1,1 | |
| 2128 OCc1ccc[n+]([O-])c1,0,0,0,0,0,0,0 | |
| 2129 Cc1cc(O)c2C(=O)c3c(O)cc(O)c4C(=O)C(C)(C)c5cc(O)c1c2c5c34,,1,,0,,,1 | |
| 2130 Cc1nc(N)nc(N)n1,,0,0,0,0,0,0 | |
| 2131 CCOP(=O)(Sc1ccccc1)Sc2ccccc2,,,,0,0,1,1 | |
| 2132 COc1cc(C(C)C)c2C(=O)N(COC3=CC(=O)N4C=CC=C(OCCN5CCCCC5)C4=N3)S(=O)(=O)c2c1,1,,1,,,,1 | |
| 2133 CCCCCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,1,1,,0,,1 | |
| 2134 C1=Cc2cccc3cccc1c23,0,0,0,0,0,0,0 | |
| 2135 CC(C)N1C(=NC(C)(C)C)SCN(C1=O)c2ccccc2,1,1,,,,,1 | |
| 2136 [O-][N+](=O)c1ccc2C(=O)OC(=O)c2c1,0,0,0,0,0,0,0 | |
| 2137 Clc1sc(Cl)c(Cl)c1Cl,0,0,0,0,0,0,0 | |
| 2138 CC(CS)C(=O)N1CCCC1C(=O)O,,0,,0,0,0,0 | |
| 2139 CC(C)(c1ccccc1)c2ccc(O)cc2,1,1,,,,0,1 | |
| 2140 Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)NN=Cc2oc(cc2)[N+](=O)[O-],0,,0,,0,0,0 | |
| 2141 Nc1nc(Cl)nc2c1ncn2C3OC(CO)C(O)C3F,1,1,,1,,,1 | |
| 2142 Cc1ccc2ccccc2c1,0,0,0,0,0,0,0 | |
| 2143 CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I,0,,,0,,,0 | |
| 2144 OC(=O)c1cc(Cl)cc(Cl)c1O,0,,0,0,0,,0 | |
| 2145 CCCCCCC(O)CC=CCCCCCCCC(=O)OC,0,,0,0,0,0,0 | |
| 2146 CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3,,,0,,,0,0 | |
| 2147 Nc1nc(O)c2ncn(C3CC(O)C(CO)C3=C)c2n1,0,,0,0,0,,0 | |
| 2148 CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC,0,0,0,0,0,0,0 | |
| 2149 CON=C1CN(CC1CN)c2nc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4,0,0,0,0,0,0,0 | |
| 2150 OC(=O)COc1ccc(CCNS(=O)(=O)c2ccccc2)s1,0,,0,0,0,,0 | |
| 2151 CC(C)Cc1ccc(cc1)C(C)C(=O)NS(=O)(=O)C,0,,,0,0,,0 | |
| 2152 Nc1n[nH]c(S)n1,0,0,,0,0,0,0 | |
| 2153 Cc1ncc(CO)c(CN)c1O,0,0,0,0,0,0,0 | |
| 2154 CC(C)c1ccc2ncccc2c1,0,0,,0,0,0,0 | |
| 2155 CC(C)N(CCCl)C(C)C,0,,0,0,0,,0 | |
| 2156 Sc1ncccn1,0,,0,0,0,0,0 | |
| 2157 CCOC(=O)C(C)Oc1ccc(Oc2oc3cc(Cl)ccc3n2)cc1,0,1,1,,0,0,1 | |
| 2158 Cc1cccc[n+]1[O-],0,0,0,0,0,0,0 | |
| 2159 NC1CSSCC(NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc3ccc(O)cc3)NC1=O)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N,0,,0,0,0,,0 | |
| 2160 C(CNc1nc2ccccc2s1)COc3cccc(CN4CCCCC4)c3,,1,0,0,,,1 | |
| 2161 O=C1NC2NC(=O)NC2N1,0,0,0,0,0,0,0 | |
| 2162 O=C(NC1CN2CCC1CC2)c3cc4ccoc4cn3,0,0,0,0,0,0,0 | |
| 2163 CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC2COC3OCCC23)S(=O)(=O)c4ccc(N)cc4,0,,0,0,0,,0 | |
| 2164 CCCCCC1C(CC(=O)OC)CCC1=O,0,0,0,0,0,0,0 | |
| 2165 CC(C)(C)NCC(O)c1cc(O)cc(O)c1,0,0,0,0,0,0,0 | |
| 2166 CCCCCCOC(=O)C(C)C,1,,1,1,0,0,1 | |
| 2167 Cc1ncc(CO)c(CO)c1O,0,0,0,0,0,0,0 | |
| 2168 CCCCCC=CCC=CCC=CCCCCC(=O)O,0,,,0,0,,0 | |
| 2169 CN1CC(c2ccccc2)c3cccc(N)c3C1,0,0,0,0,0,0,0 | |
| 2170 CCCC(=O)OCCC(C)C,0,0,0,0,0,0,0 | |
| 2171 NC(=O)NC(=O)N,0,0,0,0,0,0,0 | |
| 2172 CC(C)c1cccc(O)c1,0,0,0,0,0,0,0 | |
| 2173 CC(=CCC1=C(O)C(=O)c2ccccc2C1=O)C,,1,1,0,,1,1 | |
| 2174 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,0,0,0,0,0,0,0 | |
| 2175 CN1CCC(CC1)OC(=O)C(Oc2ccc(Cl)cc2)Oc3ccc(Cl)cc3,0,,0,0,,,0 | |
| 2176 COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)C)c5c(nc6cc(C)ccn56)c4c3C2=O,,,0,0,1,,1 | |
| 2177 CC1OC1C2CCC3(C)OC3C2,0,0,0,0,0,0,0 | |
| 2178 CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,,1,1,0,1,1,1 | |
| 2179 Cc1c(c(C)c(c(c1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],0,,0,,,0,0 | |
| 2180 OC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c3ccccc13,,,0,0,0,1,1 | |
| 2181 CCC(C)(C)O,,0,0,0,0,0,0 | |
| 2182 CN1CCC23CCCCC2C1Cc4ccc(C)cc34,0,,0,0,0,,0 | |
| 2183 CC(=O)CC(=O)Nc1ccc(cc1)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 2184 CNC(=O)Nc1ccc(Cl)c(Cl)c1,1,1,0,0,1,,1 | |
| 2185 OS(=O)(=O)O,0,0,0,0,0,0,0 | |
| 2186 CN(C)CCOC(=O)COc1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 2187 COC(=O)C(=O)C,0,0,0,0,0,0,0 | |
| 2188 CCCCCCCCCCCCCCCC(=O)O,0,,0,0,0,0,0 | |
| 2189 Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,0,0,0,0,0,0,0 | |
| 2190 CC[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3,0,0,0,0,0,0,0 | |
| 2191 ClCc1ccc(Cl)cc1Cl,0,0,0,0,0,,0 | |
| 2192 NCCCC(=O)O,0,,0,0,0,,0 | |
| 2193 COc1ccccc1N2CCNCC2,0,0,0,0,0,0,0 | |
| 2194 CC(C)c1ccc(cc1S(=O)(=O)C)C(=O)N=C(N)N,0,0,,0,0,0,0 | |
| 2195 CNC(=S)N(C)C,0,0,0,0,0,0,0 | |
| 2196 OC12N=C(SC1Cc3cc(Cl)ccc23)c4ccccc4,1,1,,,,1,1 | |
| 2197 CCCCCCCCCCCCCCCBr,0,0,,0,0,0,0 | |
| 2198 CCC(=O)Nc1ccc(O)cc1,0,0,0,0,0,0,0 | |
| 2199 COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3ccccc3,1,,1,0,,1,1 | |
| 2200 OP(=O)(Oc1ccccc1)Oc2ccccc2,0,0,0,0,0,0,0 | |
| 2201 Oc1c([nH]c2ccc(cc12)S(=O)(=O)O)C3=Nc4ccc(cc4C3=O)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 2202 C1CC(CC=C1)c2ccccc2,0,0,0,0,0,0,0 | |
| 2203 CC(=CCCC(C)(O)C1CCC(=CC1)C)C,0,0,0,0,0,0,0 | |
| 2204 C[N+](C)(C)CC1CO1,0,0,0,0,0,0,0 | |
| 2205 CC(=O)OCC(=O)C12OC3(CCCC3)OC1CC4C5CCC6=CC(=O)C=CC6(C)C5(F)C(O)CC24C,1,1,1,1,0,,1 | |
| 2206 NC(=N)c1ccc(OCCCOc2ccc(cc2)C(=N)N)cc1,,0,1,,0,0,1 | |
| 2207 C=Cc1ccc(C=C)cc1,0,0,0,0,0,0,0 | |
| 2208 Nc1ncc(s1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 2209 CCC(C)c1nccnc1OC,0,0,0,0,0,0,0 | |
| 2210 CCOc1cccc(c1)n2cc(nc2c3ccc(C)cc3)C(=O)N4CCN(CC4)c5cc(C(=O)O)c6ccccc6c5,,,1,0,,,1 | |
| 2211 COc1ccccc1N2CCN(CC(O)COc3cccc4ccccc34)CC2,0,,0,0,,,0 | |
| 2212 ClCCOP(=O)(OCCCl)OCCCl,0,0,0,0,0,0,0 | |
| 2213 COc1ccc(cc1)c2noc(CC(=O)O)c2c3ccc(OC)cc3,,,,0,0,,0 | |
| 2214 CCOC(=O)c1cccc(N)c1,,1,0,1,1,0,1 | |
| 2215 CC1CCC(=C(C)C)C(=O)C1,,,,,0,0,0 | |
| 2216 CC12CCC(O)CC1CCC3C2CCC4(C)C(CC5OC345)C6=COC(=O)C=C6,,1,,,,1,1 | |
| 2217 COc1cc(C=C2CCCC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O,1,1,,,,1,1 | |
| 2218 NS(=O)(=O)c1ccccc1Cl,0,0,0,0,0,0,0 | |
| 2219 CCCCCOC(=O)c1ccccc1C(=O)OCCCCC,0,0,0,0,0,0,0 | |
| 2220 CC(O)C(N)C(=O)O,0,0,0,0,0,0,0 | |
| 2221 CN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,0,,0,0,0,,0 | |
| 2222 CCCOC(OCCC)OCCC,0,0,0,0,0,0,0 | |
| 2223 OC(=O)Cc1ccc(Cl)cc1Cl,0,0,,0,0,0,0 | |
| 2224 CC(C)(c1ccc(O)c(c1)c2ccccc2)c3ccc(O)c(c3)c4ccccc4,,1,,,,,1 | |
| 2225 COc1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1OC,1,1,,,1,,1 | |
| 2226 C=CCCC#N,0,,0,0,0,0,0 | |
| 2227 CCCCOC(=O)CO,0,0,0,0,0,0,0 | |
| 2228 C1CN(CCN1)c2ccc3ccccc3n2,,,0,0,,0,0 | |
| 2229 CCCCCCCCCCCCCCCCOP(=O)(O)OCC[N+](C)(C)C,0,0,,0,0,,0 | |
| 2230 CSc1nc(NC2CC2)nc(NC(C)(C)C)n1,,,,,,0,0 | |
| 2231 CC(CCO)CCC=C(C)C,0,0,0,0,0,0,0 | |
| 2232 CC(=CCCC(=CCCC(=CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)C)C)C,,1,,,,,1 | |
| 2233 Cc1ccc2c(ccc3ccccc23)c1,,1,0,,,0,1 | |
| 2234 CCCCOC(=O)c1ccccc1N,0,0,0,0,,0,0 | |
| 2235 OP(=O)(O)Oc1ccccc1,0,0,0,0,0,0,0 | |
| 2236 o1ccc2ccccc12,0,0,0,0,0,0,0 | |
| 2237 OCC(S)CS,1,1,1,0,,,1 | |
| 2238 CC(C)[N+](C)(C)CC(O)COc1cccc2ccccc12,0,0,0,0,0,0,0 | |
| 2239 CC(NCCC(c1ccccc1)c2ccccc2)c3ccccc3,,1,,,,,1 | |
| 2240 CC(=O)Oc1ccc(cc1)C2(Oc3ccccc3NC2=O)c4ccc(OC(=O)C)cc4,,1,1,0,,,1 | |
| 2241 FC(F)(F)c1cccc(Nc2ncccc2C(=O)OC3OC(=O)c4ccccc34)c1,,0,0,0,1,1,1 | |
| 2242 Clc1c(Cl)c(Cl)c2C(=O)OC(=O)c2c1Cl,0,0,0,0,0,0,0 | |
| 2243 CCCc1ccccc1,0,0,0,0,0,0,0 | |
| 2244 CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC,0,0,0,0,0,0,0 | |
| 2245 CCCCCC(O)C=C,0,0,0,0,0,0,0 | |
| 2246 CCC(=O)CC,0,0,0,0,0,0,0 | |
| 2247 Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3,0,0,0,0,,,0 | |
| 2248 CN(C)CCN1C(=O)c2ccccc2N(C)c3ccccc13,0,0,0,0,,0,0 | |
| 2249 CN1CCN(Cc2occ(c2)c3ccc4nc(O)oc4c3)C(C1)c5ccc(F)cc5,1,1,1,,,,1 | |
| 2250 CCCCC(CC)COS(=O)(=O)O,0,0,0,0,0,0,0 | |
| 2251 CCOC(=O)COc1ccc(C)cc1,0,0,0,0,0,,0 | |
| 2252 COc1ccc(OC)c(CC(C)N)c1,0,0,0,0,0,0,0 | |
| 2253 CN(C)CCOC(c1ccccc1)c2ccccc2C,0,0,0,0,,0,0 | |
| 2254 Brc1c(NC2=NCCN2)ccc3nccnc13,0,0,0,0,0,0,0 | |
| 2255 CN(C)CCC#N,0,0,0,0,0,0,0 | |
| 2256 CCC(C)C1SC(C)C(=N1)C,0,0,0,0,0,0,0 | |
| 2257 O=C1CCCCCCCCCCCN1,0,0,0,0,0,0,0 | |
| 2258 OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,0,0,0,0,0,0,0 | |
| 2259 CCCCCCCCC(CCCCCC)C(=O)O,,1,,,0,1,1 | |
| 2260 CCCCCCCCCCCCC=C,0,0,0,0,0,0,0 | |
| 2261 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1,,1,,,,,1 | |
| 2262 CCC(=O)NCCC1CCc2ccc3OCCc3c12,,,0,0,1,,1 | |
| 2263 CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2occc2)cc1,0,,0,0,0,0,0 | |
| 2264 COC(=O)C(C)(C)C,0,0,0,0,0,0,0 | |
| 2265 CC(C)C1(CCc2ccc(N)cc2)CC(=O)C(=C(O)O1)Sc3cc(C)c(CO)cc3C(C)(C)C,,0,1,0,,,1 | |
| 2266 OCC(O)C(O)C(O)CO,0,,0,0,0,0,0 | |
| 2267 COC(=O)C1C(CC2CCC1N2C)OC(=O)c3ccccc3,0,,0,0,0,,0 | |
| 2268 CC(Oc1cc(Cl)ccc1Cl)C(=O)O,0,0,0,0,0,0,0 | |
| 2269 CCN(CC)CC(=O)Nc1c(C)cccc1C,,0,0,0,0,0,0 | |
| 2270 Nc1c2C(O)CCCc2nc3ccccc13,0,0,0,0,0,0,0 | |
| 2271 NC(=O)C1OC(O)C(O)C(O)C1O,0,,0,0,,,0 | |
| 2272 OC(=O)COc1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 2273 Clc1ccc(C2CSC(=C(C#N)n3ccnc3)S2)c(Cl)c1,1,1,,1,,1,1 | |
| 2274 CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1,0,0,0,1,,0,1 | |
| 2275 CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3,0,0,0,0,0,0,0 | |
| 2276 CC(C)(C)C=C,0,0,0,0,0,0,0 | |
| 2277 Cc1ncc[nH]1,0,0,0,0,0,0,0 | |
| 2278 CCOC(=O)Cc1ccc(cc1)c2ccccc2,0,,0,0,0,1,1 | |
| 2279 OCCCBr,0,0,0,0,0,0,0 | |
| 2280 CCC(C)(Oc1ccc(cc1)C2(CCCCC2)c3ccc(OC(C)(CC)C(=O)O)cc3)C(=O)O,0,0,0,0,0,0,0 | |
| 2281 CC(=CC(C)(C)C)C,0,0,0,0,,0,0 | |
| 2282 CN=C(NCCSCc1[nH]cnc1C)NC#N,0,0,0,0,0,0,0 | |
| 2283 IC(=C(I)I)I,,1,,,,,1 | |
| 2284 O=C=NC1CCC(CC2CCC(CC2)N=C=O)CC1,0,,0,0,0,0,0 | |
| 2285 CCCN1CN(C)C=C1,0,0,0,0,0,0,0 | |
| 2286 C=CCOC(=O)CCC1CCCCC1,0,,0,0,0,0,0 | |
| 2287 CCCCCCC1CCOC1=O,0,0,0,0,0,0,0 | |
| 2288 CC(C)c1ccc(C)c(O)c1,0,0,0,0,0,0,0 | |
| 2289 CC1CC2(OC3CC4(C)C5=CCC6C(C)(C)C(CCC67CC57CCC4(C)C13)OC8OCC(O)C(O)C8O)OC(O)C9(C)OC29,0,0,,0,,0,0 | |
| 2290 NCCOS(=O)(=O)O,0,0,0,0,0,0,0 | |
| 2291 OCCSc1ccccc1,0,0,0,0,0,0,0 | |
| 2292 CN1C(=O)CN2CCc3ccccc3C2c4cc(Cl)ccc14,0,1,1,,0,,1 | |
| 2293 CCCCCCCCOC1OC(CO)C(O)C(O)C1O,0,0,0,0,0,0,0 | |
| 2294 Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1,0,0,0,0,0,0,0 | |
| 2295 CC(C)C1=CC=C(C)CC1,0,0,,0,0,0,0 | |
| 2296 CCCCOCCOCCOCCCC,0,0,0,,0,0,0 | |
| 2297 NC(=O)N1c2ccccc2C=Cc3ccccc13,0,0,0,0,0,0,0 | |
| 2298 CC(C)COC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 2299 CC12CCCC=C1C(=O)OC2=O,0,0,0,0,0,0,0 | |
| 2300 ClC1OCCOC1Cl,0,0,0,0,0,0,0 | |
| 2301 OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 2302 Oc1cc(C=C(C#N)C#N)cc(O)c1O,1,,,,,,1 | |
| 2303 CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4,0,0,0,0,0,0,0 | |
| 2304 CCNc1nc(NC(C)CC)nc(OC)n1,0,0,0,0,0,0,0 | |
| 2305 CC(C)OC(=O)Nc1cccc(Cl)c1,,1,0,1,0,0,1 | |
| 2306 CC(CCC=C(C)C)C=O,0,0,0,0,0,0,0 | |
| 2307 NC(=N)NCCCCC1NC(=O)CCSSCC(NC(=O)C2CCCN2C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(CC(=O)O)NC(=O)CNC1=O)C(=O)N,0,0,,0,0,0,0 | |
| 2308 CNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NC)CC(=O)O)CC(=O)O,0,0,0,0,0,0,0 | |
| 2309 CCCCCc1ccc(N)cc1,,1,0,1,,,1 | |
| 2310 O=C1CCCO1,0,0,0,0,0,0,0 | |
| 2311 CCCOC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 2312 CC(=O)c1ccc(OCC(=O)N2CCCCC2)cc1,,1,0,1,0,0,1 | |
| 2313 O=C(c1ccc2C(=O)OC(=O)c2c1)c3ccc4C(=O)OC(=O)c4c3,0,0,0,0,0,0,0 | |
| 2314 CC(CC(=O)Cl)CC(C)(C)C,0,0,0,,0,0,0 | |
| 2315 Cc1cccc(Nc2ncccc2C(=O)O)c1C,1,1,0,1,0,,1 | |
| 2316 Brc1c2ccccc2cc3ccccc13,,1,1,1,0,1,1 | |
| 2317 Cc1c(O)cccc1C(=O)NC(CSc2ccccc2)C(O)CN3CC4CCCCC4CC3C(=O)NC(C)(C)C,1,1,1,,,,1 | |
| 2318 O=NN1CCOCC1,0,0,0,0,0,0,0 | |
| 2319 C1N2CN3CN(CN1C3)C2,0,0,0,0,0,0,0 | |
| 2320 CCCCC(CC)C(=O)OC(C)C,0,0,0,0,0,,0 | |
| 2321 CCCCC=C,,0,0,0,0,0,0 | |
| 2322 C=CC(=O)OCCCCOC(=O)C=C,1,1,1,,,1,1 | |
| 2323 COC1CCC=CO1,0,,0,0,0,0,0 | |
| 2324 CCC12COCN1COC2,0,0,0,0,0,0,0 | |
| 2325 Cn1ccc2cc3N(CCc3cc12)C(=O)Nc4cccnc4,1,1,,1,0,0,1 | |
| 2326 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O,,,,1,1,1,1 | |
| 2327 CCCCOC(=O)CC,0,0,0,0,0,0,0 | |
| 2328 C[N+]1(C)CCCCC1COC(=O)C(O)(c2ccccc2)c3ccccc3,0,,,0,0,,0 | |
| 2329 OC(=O)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2,0,,0,0,0,1,1 | |
| 2330 CCOC(=O)c1cccnc1,0,0,0,0,0,0,0 | |
| 2331 Oc1cc2ccccc2cc1C(=O)Nc3cccc(c3)[N+](=O)[O-],,1,,,,0,1 | |
| 2332 CN1C(=O)CC(NC1=O)C(=O)NC(Cc2c[nH]cn2)C(=O)N3CCCC3C(=O)N,0,,0,0,,,0 | |
| 2333 COc1ccc(cc1)C(CN(C)C)C2(O)CCCCC2,0,0,0,0,0,0,0 | |
| 2334 OC(Cn1ccnc1)(P(=O)(O)O)P(=O)(O)O,0,,0,0,0,,0 | |
| 2335 NC1CCCCC1,0,0,0,0,0,0,0 | |
| 2336 CC(=C(CCOC(=O)c1ccccc1)SSC(=C(C)N(Cc2cnc(C)nc2N)C=O)CCOC(=O)c3ccccc3)N(Cc4cnc(C)nc4N)C=O,0,,0,0,,,0 | |
| 2337 CN(C)C(=N)N=C(N)N,,0,,1,0,0,1 | |
| 2338 CCCCC(CC)C=O,0,0,0,0,0,0,0 | |
| 2339 COP(=O)(OC)SCN1C(=O)Oc2cc(Cl)cnc12,1,,,,0,0,1 | |
| 2340 OC(=O)CC(=C)C(=O)O,0,0,0,0,0,0,0 | |
| 2341 CCN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4,0,0,0,0,0,0,0 | |
| 2342 CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1,1,1,1,1,,0,1 | |
| 2343 NCCO,0,0,0,0,0,,0 | |
| 2344 COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)O)[N+](=O)[O-],,1,,,,1,1 | |
| 2345 CC(COC(C)COC(=O)C=C)OCC(C)OC(=O)C=C,1,1,1,,,1,1 | |
| 2346 CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2,,,0,1,,0,1 | |
| 2347 CC12CCC(=O)C=C1C3CC3C4C2CCC5(C)C4C6CC6C57CCC(=O)O7,1,0,1,0,,,1 | |
| 2348 CC(C)(C)c1ccc(OC(=O)c2ccccc2O)cc1,,1,,1,1,0,1 | |
| 2349 CNC(=O)C1OC(C(O)C1N)n2cnc3c(NCc4cc(Cl)ccc4OCc5onc(C)c5)ncnc23,0,0,0,0,0,0,0 | |
| 2350 COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)O)n1,0,0,0,0,0,0,0 | |
| 2351 OCc1c2ccccc2cc3ccccc13,0,1,0,1,,,1 | |
| 2352 C[n+]1ccn(CCO)c1,0,0,0,0,0,0,0 | |
| 2353 CCOC(=O)c1cc(nc2ccc(C)cc12)c3ccccc3,,,0,0,,,0 | |
| 2354 CC(C)C(C)(C)C(C)(C)C(C)(C)S,0,0,0,0,0,0,0 | |
| 2355 Nc1ccc2cc(ccc2c1)S(=O)(=O)O,0,0,,0,0,0,0 | |
| 2356 Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F,,,,1,,1,1 | |
| 2357 CCN(CC)CCNC(=O)COc1ccc(OC)cc1,0,0,0,0,0,0,0 | |
| 2358 COC1=CC=C2C(=CC1=O)C(CCc3cc(OC)c(OC)c(OC)c23)NC(=O)C,1,1,1,,1,,1 | |
| 2359 CN(C)CCCNCCC#N,0,0,0,0,0,0,0 | |
| 2360 CC(C)(N)C#N,0,0,0,0,,0,0 | |
| 2361 CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCNCC3,0,0,0,0,0,0,0 | |
| 2362 OC(=O)C1CN(CC=CP(=O)(O)O)CCN1,0,,0,0,0,,0 | |
| 2363 CC(=O)N1CCN(CC1)c2ccc(OCC3COC(Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2,0,1,0,1,,,1 | |
| 2364 CCC1CO1,0,0,0,0,0,0,0 | |
| 2365 NC(=N)NN=Cc1c(Cl)cccc1Cl,,,0,,,0,0 | |
| 2366 CN1CCN(CC1)C(=O)C2CCCCC2,0,0,0,0,0,0,0 | |
| 2367 CCCCc1ccc2cccc(c2c1)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 2368 CCC(N)c1ccccc1,0,0,0,0,0,0,0 | |
| 2369 CN1CCc2c(C1)c3ccccc3n2Cc4ccccc4,0,,0,,,,0 | |
| 2370 CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O,0,0,0,0,0,0,0 | |
| 2371 Oc1ccc(cc1)C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F,1,1,,,,,1 | |
| 2372 OC(=O)CCCCC1SCC2NC(=O)NC12,0,0,0,0,0,,0 | |
| 2373 CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(cc2F)C#N)cc1,1,,,0,0,0,1 | |
| 2374 CC(C)N1C(=O)c2ccccc2NS1(=O)=O,0,0,0,0,0,0,0 | |
| 2375 NC(=O)c1c(Cl)cccc1Cl,0,0,0,0,0,0,0 | |
| 2376 CC1=C(C=C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C=C)c5C)c(C)c4CCC(=O)O)C(=C3C)CCC(=O)O,0,1,0,0,,0,1 | |
| 2377 ClC(Cl)C(=O)Cl,0,0,0,0,,0,0 | |
| 2378 OC(=O)COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 2379 CC(NNC(=O)c1ccccc1)c2ccccc2,1,1,0,1,0,,1 | |
| 2380 CCCCCCCC(=O)O,0,0,0,0,0,0,0 | |
| 2381 CC(C)(C)C(=O)O,0,0,0,0,0,0,0 | |
| 2382 O=C1CCCc2ccccc12,0,0,0,0,,0,0 | |
| 2383 CC(C)(C)c1cc(O)ccc1O,,0,0,0,,0,0 | |
| 2384 CCC(C)Cl,0,0,0,0,0,0,0 | |
| 2385 CN(C)c1ccc(cc1)N=O,1,1,,,1,1,1 | |
| 2386 CCCCC(F)(F)C1(O)CCC2C(CCCCCCC(=O)O)C(=O)CC2O1,0,1,,,0,,1 | |
| 2387 CCc1cc2C(=NCc3nnc(C)n3c2s1)c4ccccc4Cl,,1,1,1,,0,1 | |
| 2388 NC1C2CN(CC12)c3nc4N(C=C(C(=O)O)C(=O)c4cc3F)c5ccc(F)cc5F,1,1,0,1,,1,1 | |
| 2389 CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC,0,0,0,0,0,0,0 | |
| 2390 Cc1ccc(O)c(c1)C(C)(C)C,,0,,,,0,0 | |
| 2391 CCc1cc(SCc2sc(nc2CN3CCN(CC3)c4ccc(OC)cc4)c5ccc(cc5)C(F)(F)F)ccc1OCC(=O)O,,1,,,,1,1 | |
| 2392 CCCCCCN,0,0,0,0,0,0,0 | |
| 2393 CC1(C)SC2C(NC(=O)C(C(=O)O)c3ccsc3)C(=O)N2C1C(=O)O,0,,0,0,0,,0 | |
| 2394 CN1CCN(CC(=O)N2c3ccccc3NC(=O)c4csc(C)c24)CC1,0,0,0,0,0,0,0 | |
| 2395 CCCCCCCCC=CCCCCCCCC(=O)OCCOC(=O)CCCCCCCC=CCCCCCCCC,,,0,0,0,0,0 | |
| 2396 CC12CCC3C(CCc4cc(O)ccc34)C1CCC2OP(=O)(O)O,1,1,0,0,0,,1 | |
| 2397 NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1,0,0,0,0,0,0,0 | |
| 2398 OCCN(CCO)C=O,0,0,0,0,0,0,0 | |
| 2399 CCC(C)N,0,0,0,0,0,0,0 | |
| 2400 Cc1ccccc1Cl,0,0,0,0,0,0,0 | |
| 2401 Cc1ccc(N)c(c1)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 2402 CC(C)CC(NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)C(O)CC(=O)O,0,0,0,0,0,0,0 | |
| 2403 CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,,0,0,0,0,,0 | |
| 2404 CC(C)COC(=O)COc1cc(Cl)c(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 2405 OC(=O)c1ccncc1,0,0,0,0,0,0,0 | |
| 2406 COc1cc(ccc1Cc2cn(C)c3ccc(NC(=O)OC4CCCC4)cc23)C(=O)NS(=O)(=O)c5ccccc5C,,,,0,,1,1 | |
| 2407 CCCCNCCCC,0,0,,0,0,0,0 | |
| 2408 CC1C2Cc3ccc(O)cc3C1(C)CCN2CC4CC4,,,0,0,0,,0 | |
| 2409 OC1C=CC2C3Cc4ccc(O)c5OC1C2(CCN3)c45,0,0,0,0,0,0,0 | |
| 2410 CCC(C1OC(CC)(CC1C)C2CCC(O)(CC)C(C)O2)C(=O)C(C)C(O)C(C)CCc3ccc(C)c(O)c3C(=O)O,1,1,1,1,,,1 | |
| 2411 CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C,0,0,0,0,0,0,0 | |
| 2412 CN1N(C(=O)C=C1C)c2ccccc2,0,0,0,0,0,0,0 | |
| 2413 CCOC(=O)C(CCc1ccccc1)NC2CCCN3CCCC(N3C2=O)C(=O)O,0,,0,0,0,,0 | |
| 2414 Cc1cc(C)n(CO)n1,0,0,0,0,,0,0 | |
| 2415 OCCOCCOCCOCCO,0,0,0,0,0,,0 | |
| 2416 OC(C(=O)OCCN1CCCCC1)(c2ccccc2)c3ccccc3,0,,0,0,,,0 | |
| 2417 C1OC1c2ccccc2,0,0,0,0,0,0,0 | |
| 2418 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,,0,0,0,,0 | |
| 2419 Brc1c(Br)c(Br)c2C(=O)OC(=O)c2c1Br,1,,0,0,0,0,1 | |
| 2420 CCCOC(=O)c1cc(O)c(O)c(O)c1,1,1,1,0,,,1 | |
| 2421 OCC(O)C1OC(=C(O)C1=O)O,0,0,0,0,0,0,0 | |
| 2422 [O-][N+](=O)c1ccc2C(=O)NC(=O)c2c1,0,0,0,0,0,0,0 | |
| 2423 CC(C)CC(=O)Oc1ccc(C)cc1,0,0,0,,0,0,0 | |
| 2424 CN1CCCC(CN2c3ccccc3Sc4ccccc24)C1,,1,0,,,,1 | |
| 2425 Cc1ccc(cc1)C(=O)c2ccc(CC(=O)O)n2C,,,0,0,0,0,0 | |
| 2426 CC(C)(C)CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1,,,,0,1,,1 | |
| 2427 NC(=N)NCc1cccc(I)c1,1,1,0,0,1,,1 | |
| 2428 COCC(=O)N(N1CCOC1=O)c2c(C)cccc2C,0,0,0,0,0,0,0 | |
| 2429 ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl,0,1,1,0,,0,1 | |
| 2430 Nc1ccc(Oc2ccc(N)c(N)c2)cc1,1,1,0,,,,1 | |
| 2431 CN(C)C1C2C(O)C3C(=C(O)C2(O)C(=C(C(=O)N)C1=O)O)C(=O)c4c(O)cccc4C3(C)O,0,0,0,0,0,0,0 | |
| 2432 CCCC(C)C(=O)OCC,,0,,0,0,0,0 | |
| 2433 CC(CCC#N)C#N,0,0,0,0,0,0,0 | |
| 2434 CNC(C)Cc1ccccc1OC,0,0,,0,0,0,0 | |
| 2435 Nc1ccc2ccccc2c1S(=O)(=O)O,1,,0,0,,0,1 | |
| 2436 CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2,0,0,0,0,,0,0 | |
| 2437 Oc1nc2C(=O)NC(=O)Nc2[nH]1,0,0,0,0,0,0,0 | |
| 2438 COP(=O)(O)OC,0,0,0,0,0,0,0 | |
| 2439 COc1ccc2cc(ccc2c1)C(C)CO,,1,0,1,,,1 | |
| 2440 Cc1ccc(C)c2ccccc12,0,0,0,0,0,0,0 | |
| 2441 CCc1nc(N)nc(N)c1c2ccc(Cl)cc2,1,1,,0,1,,1 | |
| 2442 CN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,0,,0,0,,,0 | |
| 2443 NC1=NC(=O)N(C=C1F)C2CSC(CO)O2,0,,0,0,0,,0 | |
| 2444 Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 2445 Nc1ccc2C(=O)c3ccccc3C(=O)c2c1,1,1,,1,0,0,1 | |
| 2446 COc1cc2[nH]c(C)c(CCN3CCN(CC3)c4ccccc4)c2cc1OC,0,,0,0,,,0 | |
| 2447 CC(COc1ccccc1)N(CCCl)Cc2ccccc2,0,1,1,0,0,,1 | |
| 2448 COC(=C1C(C(=C(COC(=O)N)N=C1C)C(=O)OC(C)C)c2cccc(Cl)c2Cl)O,1,,1,,,1,1 | |
| 2449 COC(=C1C(C(=C(C)N=C1C)C(=O)OC2CCCN(Cc3ccccc3)C2)c4cccc(c4)[N+](=O)[O-])O,1,1,1,,,,1 | |
| 2450 CCCCCCOC(=O)c1ccc(O)cc1,1,1,,,,1,1 | |
| 2451 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,,0,0,0,,0 | |
| 2452 Cc1ccc(cn1)c2ncc(Cl)cc2c3ccc(cc3)S(=O)(=O)C,0,0,0,0,0,0,0 | |
| 2453 CC(=C)C(=O)OCCOCCOC(=O)C(=C)C,0,,0,,0,0,0 | |
| 2454 Cc1ccc(Cl)c(N)c1Cl,0,0,0,0,0,0,0 | |
| 2455 CC(C)CCCCCCCCCCCCCCC(=O)O,,0,,,1,1,1 | |
| 2456 CC12CCC3C(CCc4cc(O)ccc34)C1CC(O)C2O,1,1,1,0,,0,1 | |
| 2457 CCCCC(CC)COCCO,0,0,0,0,0,0,0 | |
| 2458 CC(C)(c1cc(Br)c(OCC=C)c(Br)c1)c2cc(Br)c(OCC=C)c(Br)c2,0,0,0,0,,0,0 | |
| 2459 CCCCCCCCCCCCOCC1CO1,0,0,,0,0,0,0 | |
| 2460 Cc1cc(C)c(O)c(C)c1,0,0,0,0,0,0,0 | |
| 2461 NCC1(Cc2noc(O)n2)CCCCC1,0,0,0,0,0,0,0 | |
| 2462 OCC1OC(C(O)C1O)n2cnc3c(O)ncnc23,,0,0,0,0,0,0 | |
| 2463 CC(=O)Oc1ccc(cc1)C(=O)C,,,0,0,0,0,0 | |
| 2464 OS(=O)(=O)OOS(=O)(=O)O,0,0,0,0,0,0,0 | |
| 2465 O=[p+]1oc2ccccc2c3ccccc13,0,0,0,0,0,0,0 | |
| 2466 OCCN1CCN(CC1)C(=O)CN2C(=O)Sc3ccc(Cl)cc23,0,,0,0,0,,0 | |
| 2467 Nc1ccc(cc1)c2ccc(F)cc2,,1,0,1,0,0,1 | |
| 2468 CCCCN1CC(O)C(O)C(O)C1CO,0,0,0,0,0,0,0 | |
| 2469 CC1CN(CCC1(C(=O)O)c2ccccc2)C3CCC(CC3)(C#N)c4ccc(F)cc4,0,0,0,0,0,0,0 | |
| 2470 CCOc1ccc(NC(=O)C)cc1N,,,0,1,0,0,1 | |
| 2471 CC(O)CC(C)(C)O,0,0,0,0,0,0,0 | |
| 2472 Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,0,0,0,0,0,0,0 | |
| 2473 CCCCCCCCCCCCI,0,,0,0,0,0,0 | |
| 2474 C(Oc1ccccc1)C2CO2,0,0,0,0,0,0,0 | |
| 2475 CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c3ccccn3,,0,1,0,1,1,1 | |
| 2476 CCCCCCCCCCCSCC(=O)O,0,1,,0,,1,1 | |
| 2477 OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc2ccccc2,,,0,,,,0 | |
| 2478 O=C1OC(=O)C2CC=CCC12,0,0,0,0,0,0,0 | |
| 2479 CCCCCCC(=O)OC1CCC2C3CCC4CC(=O)C=C(C)C4(C)C3CCC12C,1,1,,1,0,,1 | |
| 2480 C=CN1CCCCCC1=O,0,0,0,0,0,0,0 | |
| 2481 CC=CC=NNC(=O)c1ccncc1,0,0,0,0,0,0,0 | |
| 2482 [O-][N+](=O)c1cccc2c(cccc12)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 2483 CCOC(=C1C(C(=C(C)N=C1COCCN)C(=O)OC)c2ccccc2Cl)O,1,1,,1,,,1 | |
| 2484 CCCNC1CCc2nc(N)sc2C1,0,0,0,0,,0,0 | |
| 2485 CCCCCCCCOS(=O)(=O)O,0,0,0,0,0,0,0 | |
| 2486 CC1CCCC(=O)C1=O,0,0,,0,0,0,0 | |
| 2487 CCC(N)Cc1c[nH]c2ccccc12,0,,0,0,,,0 | |
| 2488 CCCCCCCCN(C)CCCCCCCC,0,0,0,0,0,0,0 | |
| 2489 CC(C)(C)NCC(O)c1ccc(O)c(CO)n1,0,,0,0,0,,0 | |
| 2490 CC12CCC3C(CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)C1CCC2O,1,1,0,0,,,1 | |
| 2491 OCC(O)CONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F,,,0,1,,,1 | |
| 2492 ClCCCl,,0,0,0,0,0,0 | |
| 2493 CC1(CO)C(O)CCC2(C)C(CC=C3C(O)COC3=O)C(=C)CCC12,1,,,,,,1 | |
| 2494 CC1(C)N(Cl)C(=O)N(Br)C1=O,0,0,0,0,0,0,0 | |
| 2495 Fc1ccc(cc1)C(=O)C2CCN(CCN3C(=S)Nc4ccccc4C3=O)CC2,,,,0,0,0,0 | |
| 2496 CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC,0,0,0,0,0,0,0 | |
| 2497 CCCCOC(=O)COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 2498 COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C,1,1,,,1,0,1 | |
| 2499 COc1cc(NCCCC(C)N)c2ncccc2c1,,,0,,,,0 | |
| 2500 CN(CCO)CCO,0,0,0,0,,0,0 | |
| 2501 FC1=CN(C2CCCO2)C(=O)NC1=O,0,0,0,0,0,0,0 | |
| 2502 COc1cc(c(OC)cc1Cl)c2nc(NC(=O)c3cc4cc(C)cc(C)c4n3CC(=O)O)sc2CCC5CCCCC5,1,1,,,,,1 | |
| 2503 Nc1ccc(cc1)S(=O)(=O)Nc2ccc(Cl)nn2,0,0,0,0,0,0,0 | |
| 2504 CCCCCCOCCO,0,0,0,0,0,0,0 | |
| 2505 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,0,0,0,0,0,0,0 | |
| 2506 Oc1cc(O)c2CC(OC(=O)c3cc(O)c(O)c(O)c3)C(Oc2c1)c4cc(O)c(O)c(O)c4,1,0,0,0,,,1 | |
| 2507 Cc1ccc(N)cc1O,1,,0,0,,0,1 | |
| 2508 CC(C)(C)c1ccc(cc1)c2ccc(cc2)C(C)(C)C,0,,0,0,0,,0 | |
| 2509 CCCCCCCCCCCC(=O)OCC(O)CO,0,0,0,0,0,,0 | |
| 2510 CC(=CCO)C,0,0,0,0,0,0,0 | |
| 2511 Cc1nc(C)c(C)nc1C,0,0,0,0,0,0,0 | |
| 2512 Cc1cc(C)c(C)cc1C,0,0,0,0,0,0,0 | |
| 2513 COc1cc(cc(OC)c1OC)C(=O)N2CCCCCCC2,0,0,0,0,0,0,0 | |
| 2514 CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,0,0,0,0,,0,0 | |
| 2515 CCC(=O)O,0,0,0,0,0,0,0 | |
| 2516 OCC(CBr)(CBr)CBr,,0,0,1,0,0,1 | |
| 2517 CC(C)(C)NCC(O)c1cc(Cl)c(N)c(c1)C(F)(F)F,0,0,0,0,0,0,0 | |
| 2518 Oc1ccc(cc1)c2ccc(O)cc2,1,1,,1,,1,1 | |
| 2519 COC(=O)CC(=O)C(C)(C)C,0,0,0,0,0,0,0 | |
| 2520 N(c1ccc(Nc2ccc3ccccc3c2)cc1)c4ccc5ccccc5c4,,,0,0,0,,0 | |
| 2521 NC(=O)OCC1C(NC(=O)C(=NOCC(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,0,,0,0,0,,0 | |
| 2522 Nc1ccc(Br)cc1,0,1,,0,,,1 | |
| 2523 CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C,0,0,0,0,0,0,0 | |
| 2524 Oc1c(Br)cc(Br)c2cccnc12,0,,1,0,,,1 | |
| 2525 COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0,0,0,0,,0,0 | |
| 2526 CC(=O)NC(C=O)C(O)C(O)C(O)CO,0,,0,0,0,,0 | |
| 2527 CC(=CCCC(C)(OC(=O)c1ccccc1)C=C)C,,1,0,0,,0,1 | |
| 2528 NCC1CCC(N)C(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)O1,,,0,0,0,,0 | |
| 2529 CC12CCC3C(C(CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34)C1CCC2O,,1,1,1,,0,1 | |
| 2530 Cc1cccc(c1[N+](=O)[O-])[N+](=O)[O-],0,0,,0,0,,0 | |
| 2531 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F,0,0,0,0,0,0,0 | |
| 2532 N(C=CC=CC=Nc1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 2533 COc1ccc(cc1OC2CCCC2)C3CNC(=O)C3,0,0,0,0,0,0,0 | |
| 2534 CC1CC2=C(CC1(C)C(=O)C)C(C)(C)CCC2,0,0,0,0,0,0,0 | |
| 2535 CC(C)(C)CC(C)(C)c1ccc(O)cc1,,1,,,,0,1 | |
| 2536 CN(C)C=Nc1c(I)cc(I)c(CCC(=O)O)c1I,0,,0,0,,1,1 | |
| 2537 COC(=O)CS,0,0,0,0,0,,0 | |
| 2538 CC(=O)Nc1nnc(s1)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 2539 CCN(CC)CCOc1ccccc1OC,,,0,0,,,0 | |
| 2540 CC(=C)C(=O)OCCCCCCCCCCOC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 2541 OCC(O)COCC=C,0,0,0,0,0,0,0 | |
| 2542 COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1,0,0,0,0,0,0,0 | |
| 2543 CCN(CC)C(=O)c1cccc(C)c1,0,0,0,0,0,0,0 | |
| 2544 CC(=O)C,0,0,0,0,0,0,0 | |
| 2545 CC1(C)C2CCC1(C)C[N+](C)(CCC[N+](C)(C)C)C2,0,,0,0,0,,0 | |
| 2546 Oc1ccc(c2cccnc12)[N+](=O)[O-],,,1,,,,1 | |
| 2547 CC(C)N(C)C,0,0,0,0,0,0,0 | |
| 2548 OC(=O)c1ccc(cc1)S(=O)(=O)N(Cl)Cl,,,0,0,0,0,0 | |
| 2549 CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12,1,1,1,1,,0,1 | |
| 2550 OC(=O)C(Br)(Br)Br,0,0,0,0,0,0,0 | |
| 2551 CCCCCC(CC)OC(=O)CCCOc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 2552 Cc1cccc(Cc2c[nH]cn2)c1C,,0,0,,0,0,0 | |
| 2553 Clc1ccc(C=O)c(Cl)c1,0,0,0,0,0,0,0 | |
| 2554 CCOCN(C(=O)CCl)c1c(C)cccc1CC,1,1,,,1,1,1 | |
| 2555 Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C24OC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c45)c1Br,0,,,,,1,1 | |
| 2556 CC1(C)Oc2ccc(cc2C(C1O)N3CCCC3=O)C#N,0,0,0,0,0,0,0 | |
| 2557 CN1N(C(=O)C(=C1C)NC(=O)c2cccnc2)c3ccccc3,0,0,0,0,0,0,0 | |
| 2558 C1CC2OC2CC1C3CO3,0,0,0,0,0,0,0 | |
| 2559 CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,1,1,1,1,0,,1 | |
| 2560 Cc1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)cc1,,0,0,0,0,1,1 | |
| 2561 C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1,0,0,0,0,0,0,0 | |
| 2562 CC1=NNC(=O)N(C1)N=Cc2cccnc2,0,0,0,0,0,0,0 | |
| 2563 CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1,0,0,0,0,,0,0 | |
| 2564 NC(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSc3c[nH]nn3)c4ccc(O)cc4,0,,0,0,0,,0 | |
| 2565 CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2,0,0,0,0,,0,0 | |
| 2566 CC(CCC=C(C)C)CC=O,0,0,0,0,0,0,0 | |
| 2567 CCOC(=O)COC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],1,,,1,0,1,1 | |
| 2568 CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1,0,0,0,0,0,0,0 | |
| 2569 CC12C3CC(C=C3)C1C(=O)OC2=O,0,0,0,0,0,0,0 | |
| 2570 CC1CCC2(OC1)OC3C(O)C4C5CCC6CC(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC%10OC(CO)C(O)C(OC%11OC(CO)C(O)C(O)C%11O)C%10O)C(O)C7O)C(O)CC6(C)C5CCC4(C)C3C2C,,1,,,,,1 | |
| 2571 CN(C)C(=S)Nc1cccc(C)c1,0,0,0,0,0,0,0 | |
| 2572 CCCCCC=CCC=CCCCCCCCC(=O)OC,0,0,,0,0,0,0 | |
| 2573 CCC(C)(C)C(=O)OC1=C(C(=O)OC12CCCCC2)c3cc(Cl)cc(Cl)c3,1,1,1,1,,1,1 | |
| 2574 CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],0,,0,0,0,,0 | |
| 2575 Cc1ccc2nc(N)nc(O)c2c1Sc3ccncc3,0,1,1,,,,1 | |
| 2576 ClP(Cl)c1ccccc1,0,0,0,0,0,0,0 | |
| 2577 ClC(Cl)(Cl)c1ccc(cc1)C(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 2578 COC12C3NC3CN1C4=C(C2COC(=O)N)C(=O)C(=C(C)C4=O)N,1,1,,,,1,1 | |
| 2579 [O-][N+](=O)c1ccccc1Nc2ccccc2,,0,0,,0,0,0 | |
| 2580 ClCC(Cl)CCl,0,0,0,0,0,0,0 | |
| 2581 CCOP(=S)(OCC)Oc1ccc(cc1)S(=O)C,0,,,0,0,0,0 | |
| 2582 CCCCC(CC)COCCC#N,0,0,0,0,0,0,0 | |
| 2583 OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl,,0,0,0,,1,1 | |
| 2584 CC=C(C)C=O,0,,0,0,0,0,0 | |
| 2585 Clc1ccc2C(=C3CCNCC3)c4ncccc4CCc2c1,1,,0,,,,1 | |
| 2586 O[P+](=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 2587 COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(OC6CCCCO6)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO,1,1,1,1,,,1 | |
| 2588 NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O,0,0,0,0,0,0,0 | |
| 2589 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3cc(C)on3,0,0,0,0,0,0,0 | |
| 2590 CC1(C)C(=O)C(C)(C)C1=O,0,0,0,0,0,0,0 | |
| 2591 Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1,,1,0,1,,0,1 | |
| 2592 Cc1ccc(C=O)cc1C,0,0,0,0,0,0,0 | |
| 2593 COc1ccc(cc1OC)C(=O)NCc2ccc(OCCN(C)C)cc2,0,,0,0,1,0,1 | |
| 2594 FC(=C1CN2CCC1CC2)COc3ccc4c(c3)[nH]c5ccccc45,,1,,,,1,1 | |
| 2595 CCC(C)(C)c1cc(O)c(cc1O)C(C)(C)CC,,1,,,,,1 | |
| 2596 CCN(CC)C(=O)SCc1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 2597 NC(=O)c1cccnc1,0,0,0,0,0,0,0 | |
| 2598 FC(F)(F)C(Cl)Br,0,0,0,0,0,0,0 | |
| 2599 CCCC[N+]1(C)CCCCC1,0,0,0,0,0,0,0 | |
| 2600 CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O)C(C)O,0,,0,0,0,,0 | |
| 2601 CN(C)C(=O)NC1(CCN(CCC2(CN(CCO2)C(=O)c3ccccc3)c4ccc(F)c(F)c4)CC1)c5ccccc5,,0,0,0,,,0 | |
| 2602 CCCOCC(C)O,0,0,0,0,0,0,0 | |
| 2603 S=C=NCCc1ccccc1,,1,,,,0,1 | |
| 2604 CCOC(=O)COc1ccc2C(=C(CCN(CC)CC)C(=O)Oc2c1)C,0,,0,0,0,,0 | |
| 2605 CC1=NN(C(=O)C1)c2ccc(cc2)C(=O)O,,0,0,,,0,0 | |
| 2606 CN1C=C(C(=O)c2ccc(F)cc12)S(=O)C,0,0,0,0,0,0,0 | |
| 2607 CC(C)NC1=C(C)N(C)N(C1=O)c2ccccc2,0,0,0,0,0,0,0 | |
| 2608 CC(=O)NC1C(O)OC(CO)C(O)C1O,0,,0,0,0,,0 | |
| 2609 CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)[N+](=O)[O-])cc1,1,,,,,0,1 | |
| 2610 CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc3ccc(cc3)C(=O)O,1,1,,0,,,1 | |
| 2611 CC1=Nc2ccccc2C(=O)O1,0,0,0,1,,0,1 | |
| 2612 Clc1cc(Cl)nc(Cl)n1,0,,0,0,0,,0 | |
| 2613 Nc1cccc2ccccc12,0,0,,0,0,0,0 | |
| 2614 Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3,1,1,,,,1,1 | |
| 2615 CN(C(=S)Oc1ccc2CCCc2c1)c3cccc(C)c3,1,,,0,0,,1 | |
| 2616 OC(=O)CCCCCCC(=O)O,,0,0,0,0,0,0 | |
| 2617 CN1C2CCC1CC(C2)OC3c4ccccc4CCc5ccccc35,0,,0,0,,,0 | |
| 2618 Oc1c(Br)cc(Br)cc1C(=O)Nc2ccc(Br)cc2,0,1,,0,,,1 | |
| 2619 CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](C)(C)C)OC,0,,0,0,,,0 | |
| 2620 Nc1ccccc1S(=O)(=O)c2ccccc2,,0,0,0,0,0,0 | |
| 2621 Clc1ccccc1C2CSC(=C(C#N)n3ccnc3)S2,1,,0,1,0,,1 | |
| 2622 CN1CCC(C(O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl,1,1,,,,1,1 | |
| 2623 CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,1,1,,,,,1 | |
| 2624 COc1ccc(N)c(OC)c1,0,0,0,0,0,0,0 | |
| 2625 CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC,1,1,,1,,,1 | |
| 2626 CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N,0,0,0,0,0,,0 | |
| 2627 C=CCSSSCC=C,0,,0,0,,,0 | |
| 2628 OCCN1CCN(CCO)CC1,0,0,0,0,0,0,0 | |
| 2629 CCCCOC(=O)CCCCCCCC(=O)OCCCC,0,0,0,0,0,0,0 | |
| 2630 OCC1CCC(O1)n2cnc3c(O)ncnc23,0,0,0,0,0,0,0 | |
| 2631 CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12,,,0,1,,,1 | |
| 2632 CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc3ccccc3)NC(=O)C(CC(=O)N)NC(=O)c4ccc5ccccc5n4,1,,,,,1,1 | |
| 2633 CCCCCCCCCCCCCOC(=O)C(=C)C,,0,0,0,0,0,0 | |
| 2634 NCCc1ccc(O)c(O)c1,0,1,0,0,,0,1 | |
| 2635 Oc1ccc2CC3N(CC=C)CCC45C(Oc1c24)C(=O)CCC35O,0,0,0,0,0,0,0 | |
| 2636 CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(C)CC2OC)C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)C(O)CC1=O)C(=CC4CCC(Cl)C(C4)OC)C,,1,0,0,,,1 | |
| 2637 CCCCCCOC(=O)CCC,0,0,0,0,0,0,0 | |
| 2638 CC(=CCCC(=CCCC(=CCCC(=CCC1=C(C)C(=O)c2ccccc2C1=O)C)C)C)C,0,,0,0,0,,0 | |
| 2639 OC(=O)CC(C(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 2640 COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2OCC(F)(F)F)n1,0,0,0,0,0,0,0 | |
| 2641 Nc1ccc(N=Nc2ccccc2)c(N)c1,1,1,0,1,,,1 | |
| 2642 CC(=O)CC(=O)Nc1ccccc1,,0,0,0,0,0,0 | |
| 2643 NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O,0,,0,0,0,,0 | |
| 2644 Nc1nc2CCN(CC=C)CCc2s1,0,,0,0,0,0,0 | |
| 2645 CC(=CC(=O)O)C,0,0,0,0,0,0,0 | |
| 2646 COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl,1,1,,1,,0,1 | |
| 2647 CCCCOP(=O)(OCCCC)OCCCC,0,0,0,0,0,0,0 | |
| 2648 OS(=O)(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 2649 CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C3CCC(=O)N3)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)N,0,,0,,0,,0 | |
| 2650 COc1ncc(F)c2nc(nn12)S(=O)(=O)Nc3c(F)cccc3F,0,0,0,0,0,0,0 | |
| 2651 Cc1ccccc1NC(=N)Nc2ccccc2C,,0,0,0,0,0,0 | |
| 2652 CC(C)c1cc(cc(c1)C(C)C)C(C)C,0,0,0,0,,,0 | |
| 2653 COP(=O)(OC)C(O)C(Cl)(Cl)Cl,,1,0,0,0,0,1 | |
| 2654 CC(=CCCC(=CCC=C(C)C=C)C)C,,0,1,0,,1,1 | |
| 2655 ONC(=O)CS(=O)C(c1ccccc1)c2ccccc2,,,0,0,0,,0 | |
| 2656 Oc1cccc(O)c1,0,0,0,0,0,0,0 | |
| 2657 NC1=NC(=CC(=N)N1O)N2CCCCC2,0,0,0,0,0,0,0 | |
| 2658 CNC(=O)Oc1cc(C)cc(c1)C(C)C,,,,0,0,0,0 | |
| 2659 CC12CCC3C(CCC4=C(O)C(=O)CCC34)C1CCC2OC(=O)CCC5CCCC5,1,1,,1,0,,1 | |
| 2660 Oc1ccc(cc1)C2(CC3CC2C4CCCC34)c5ccc(O)cc5,,1,,1,,,1 | |
| 2661 CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2,0,,0,0,,0,0 | |
| 2662 CCCCN(CCCC)CC(O)c1cc(Cl)cc2C(=Cc3ccc(Cl)cc3)c4cc(Cl)ccc4c12,,0,,0,,,0 | |
| 2663 Nc1ccc(NCCO)c(c1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 2664 Nc1cc2CCN3C(=O)C(NC(=O)c4cccnc4)N=C(c5ccccc5)c(c1)c23,0,,0,0,0,0,0 | |
| 2665 CCN(CC)CCO,0,0,0,0,0,0,0 | |
| 2666 CCCN(CCC)CCc1c[nH]c2ccccc12,0,0,0,0,,0,0 | |
| 2667 CCOC(=O)c1cncn1C(C)c2ccccc2,0,0,0,0,0,0,0 | |
| 2668 Clc1cccc(Cl)c1,0,,0,0,0,0,0 | |
| 2669 CC(=O)CCC(=O)O,0,0,0,0,0,0,0 | |
| 2670 CCCCCCCCCCCCCC(=O)OC,0,0,0,0,0,0,0 | |
| 2671 Oc1ccc(cc1)C2(c3ccc(O)cc3)c4ccccc4c5ccccc25,1,,,,,,1 | |
| 2672 CN(CCCOc1ccc(Cl)cc1Cl)CC#C,1,1,0,1,,0,1 | |
| 2673 CCC(C)(CCCC(C)C)OC(=O)C,0,0,0,0,0,0,0 | |
| 2674 Cc1ccc(O)c2ncccc12,,1,,,,,1 | |
| 2675 C(Cc1ccccc1)Nc2nc(cs2)c3ccccc3,1,1,,1,0,0,1 | |
| 2676 CC(=O)CC(C)(C)NC(=O)C=C,0,0,0,0,0,0,0 | |
| 2677 OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)c3cccnc3,1,,,1,,,1 | |
| 2678 CC1CCC(CO)CC1,0,,,0,0,0,0 | |
| 2679 CCCCC(CC)COCC1CO1,0,0,0,0,0,0,0 | |
| 2680 Oc1nncc2ccccc12,0,0,0,0,0,0,0 | |
| 2681 COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1,0,,0,0,0,0,0 | |
| 2682 CCc1ccc(C)cc1,0,0,0,0,0,0,0 | |
| 2683 CN(C)N,0,0,0,0,0,0,0 | |
| 2684 OS(=O)(=O)c1cccc2ccccc12,0,0,,0,0,0,0 | |
| 2685 CC(=C)C(=O)OCCOP(=O)(O)O,0,0,0,0,0,,0 | |
| 2686 CCC(C)C(N1Sc2ccccc2C1=O)C(=O)O,,0,0,0,0,,0 | |
| 2687 ClCCCCCCCl,0,0,0,0,0,0,0 | |
| 2688 CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN(CCF)c3c2F)C(=O)O,0,0,0,0,0,0,0 | |
| 2689 CC(CSC(=O)c1ccccc1)C(=O)N2CC(CC2C(=O)O)Sc3ccccc3,0,0,0,0,0,0,0 | |
| 2690 C[N+]1(CC2COC(O2)(C3CCCCC3)c4ccccc4)CCCCC1,,0,0,0,0,0,0 | |
| 2691 OC(=O)CC(C(CC(=O)O)C(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 2692 Nc1ccc(cc1O)[N+](=O)[O-],,0,0,0,,1,1 | |
| 2693 CC(=O)CCc1ccc(O)cc1,0,0,0,0,0,0,0 | |
| 2694 CCn1nc(Cc2ccccc2)cc1C3CCN(CC4CC(CC4c5cccc(F)c5)N(C)C(C(C)C)C(=O)O)CC3,,1,0,0,,,1 | |
| 2695 CC(CCOC(=O)C(=C)C)OC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 2696 CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C,,0,,,,0,0 | |
| 2697 CC(Oc1ccc(Cl)cc1Cl)C(=O)O,0,0,0,,0,0,0 | |
| 2698 CNC(=O)N(c1ccccc1)c2ccccc2,0,0,0,0,,0,0 | |
| 2699 Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],,0,,,1,0,1 | |
| 2700 CCOC(=O)C1OC1(C)c2ccccc2,0,0,0,0,0,0,0 | |
| 2701 CC(C)Cc1ccc(CCc2cc3C(=NC(C)c4nnc(C)n4c3s2)c5ccccc5Cl)cc1,1,1,,1,,,1 | |
| 2702 CC(=C)C1CCC(=CC1)C,0,0,0,0,0,0,0 | |
| 2703 CC(COc1ccc(cc1)C(C)(C)C)OS(=O)OCCCl,0,,0,0,0,0,0 | |
| 2704 CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1,,0,0,0,,0,0 | |
| 2705 Nc1ccc(SC#N)cc1[N+](=O)[O-],,1,,,,,1 | |
| 2706 SC1CCCCC1,0,0,0,0,0,0,0 | |
| 2707 Cc1cc(O)c2ccccc2c1O,0,,0,0,,,0 | |
| 2708 CC(CCC=C(C)C)CC(=O)O,0,0,,,0,0,0 | |
| 2709 Clc1cccc(Cl)c1S(=O)(=O)Cl,,0,0,0,0,0,0 | |
| 2710 CCCCc1ccc2C(C(C(c3ccc(OC)cc3CC(C)C(=O)O)c2n1)C(=O)O)c4ccc5OCOc5c4,0,0,,0,0,0,0 | |
| 2711 OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,0,0,0,0,0,0 | |
| 2712 Clc1ccc(CSC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1,0,1,0,1,,,1 | |
| 2713 C(=Cc1ccccc1)c2ccccc2,0,,0,1,0,0,1 | |
| 2714 OCC1OC(CC1O)N2C=C(I)C(=O)NC2=O,1,,1,,0,0,1 | |
| 2715 CCn1ccnc1CC2COc3ccccc3O2,0,0,0,0,0,0,0 | |
| 2716 CCCCCCCCCCCCOCCO,,1,0,,0,0,1 | |
| 2717 CCN1CCCC1CNC(=O)c2c(OC)ccc(Br)c2OC,0,0,0,0,0,0,0 | |
| 2718 Fc1cccc(C=CC(=O)NC2CC2)c1,0,,0,1,0,,1 | |
| 2719 CC(O)c1ccccc1,0,0,0,0,,0,0 | |
| 2720 FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F,0,0,0,0,0,0,0 | |
| 2721 OC(=O)C1CSCN1,0,0,0,0,0,0,0 | |
| 2722 OC(=O)CC#N,0,0,0,0,0,0,0 | |
| 2723 CC(C)(C)C(=O)CCl,0,0,0,0,0,0,0 | |
| 2724 Cc1cc(c(O)c(C)c1CN2C(=O)N(Cc3c(C)cc(c(O)c3C)C(C)(C)C)C(=O)N(Cc4c(C)cc(c(O)c4C)C(C)(C)C)C2=O)C(C)(C)C,,1,,1,,0,1 | |
| 2725 C(Cc1c[nH]c2ccccc12)C3CCNCC3,0,,0,0,,,0 | |
| 2726 CCN(Cc1c(F)cccc1Cl)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],,,1,1,1,0,1 | |
| 2727 Clc1ccc2[nH]nnc2c1,0,,0,0,0,,0 | |
| 2728 O=C1N2Cc3ccccc3C(=O)N2Cc4ccccc14,0,,0,0,0,,0 | |
| 2729 N(c1ccccc1)c2ccc3ccccc3c2,1,1,0,,,,1 | |
| 2730 ClC(=Cn1cncn1)c2ccc(Cl)cc2Cl,0,0,,1,,0,1 | |
| 2731 CC(C)CC(NC(=O)C)C(=O)O,0,0,0,0,0,0,0 | |
| 2732 ClC(=O)c1c(Cl)cccc1Cl,0,0,0,0,0,0,0 | |
| 2733 CNC(=O)OCC[N+](C)(C)C,0,,0,0,,,0 | |
| 2734 CC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(N)CCCN=C(N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O,0,,0,0,0,,0 | |
| 2735 CC(=CCCC(=CCOC(=O)C)C)C,0,0,0,0,0,0,0 | |
| 2736 C1CC2C3CCC(C3)C2C1,0,0,0,0,0,0,0 | |
| 2737 CC(=C)C(=O)OCc1ccccc1,0,0,0,0,0,0,0 | |
| 2738 ClC(Cl)C(=O)N(CC=C)CC=C,0,0,0,0,0,0,0 | |
| 2739 ON=Cc1oc(cc1)[N+](=O)[O-],,1,0,0,0,0,1 | |
| 2740 CC(C)(C)C(=O)C(=O)O,0,0,0,0,0,0,0 | |
| 2741 NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc3ccccc3)C(=O)O,1,0,1,,0,0,1 | |
| 2742 CC1=Nc2ccccc2C(=O)N1c3ccccc3Cl,0,0,0,0,0,0,0 | |
| 2743 CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC12C,1,1,1,,0,,1 | |
| 2744 Nc1ccccn1,0,0,0,0,0,,0 | |
| 2745 Nc1c(CC(=O)O)cccc1C(=O)c2ccccc2,,,0,0,0,1,1 | |
| 2746 CCCCCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C,1,1,1,,0,,1 | |
| 2747 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CCl,1,,1,,0,,1 | |
| 2748 NC(=O)Nc1nc2ccccc2[nH]1,0,0,0,,0,0,0 | |
| 2749 CC(=C(CCO)SSCC1CCCO1)N(Cc2cnc(C)nc2N)C=O,0,,,0,0,,0 | |
| 2750 Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1,,0,0,0,0,0,0 | |
| 2751 O=C1CCCCCN1SSN2CCCCCC2=O,,,1,,,0,1 | |
| 2752 CC1CN(NC1=O)c2ccccc2,,,,1,0,,1 | |
| 2753 ON(N=O)c1ccccc1,0,1,0,,0,0,1 | |
| 2754 CCNC(=O)C=Cc1cccc(Br)c1,,,0,1,0,0,1 | |
| 2755 CC(=C1CCC(=CC1)C)C,0,0,0,0,,0,0 | |
| 2756 BrCc1ccccc1,0,0,0,0,0,0,0 | |
| 2757 CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)c5ccc(cc5)N(C)C,1,1,1,,,1,1 | |
| 2758 FC(F)(F)Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1,0,,0,,0,0,0 | |
| 2759 Cc1cccc(Nc2ccccc2C(=O)O)c1C,,,,0,1,1,1 | |
| 2760 Nc1ccc(Oc2cccc(Oc3ccc(N)cc3)c2)cc1,,1,,,,,1 | |
| 2761 CC(=O)C=CC1=C(C)CCCC1(C)C,0,0,0,0,0,0,0 | |
| 2762 CCCCOC(=O)C(C)OC(=O)CCC,0,0,0,0,0,0,0 | |
| 2763 Cc1oc(C)c(C(=O)Nc2ccccc2)c1C,,1,,1,1,1,1 | |
| 2764 CCOc1cc(cc(OCC)c1OCC)c2nccc3cc(OC)c(OC)cc23,,,0,,,,0 | |
| 2765 OCCOC(=O)c1ccccc1O,0,,0,0,0,,0 | |
| 2766 CC(C)NC(=O)NC(C)C,0,0,0,0,0,0,0 | |
| 2767 COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F,,,0,,,,0 | |
| 2768 Brc1cccc(c1)c2ccccc2,,,,,0,0,0 | |
| 2769 CC1COC2(N1CC(=O)Nc3ccc(Cl)cc23)c4ccccc4Cl,,1,,,,,1 | |
| 2770 OC(CNCC(O)C1CCc2cc(F)ccc2O1)C3CCc4cc(F)ccc4O3,,1,,,,1,1 | |
| 2771 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)C=C(C)C=CC=C(C)C=CC3=C(C)CCCC3(C)C)c(C)c(C)c2O1,0,1,0,1,1,,1 | |
| 2772 CC(=O)SC1CC2=CC(=O)CCC2(C)C3CCC4(C)C(CCC45CCC(=O)O5)C13,1,1,1,1,,1,1 | |
| 2773 NC(CCC(=O)O)C=C,0,,0,0,0,,0 | |
| 2774 CCOC(=O)OC(C)OC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)c3ccccc3)C2=O,0,0,,0,0,0,0 | |
| 2775 CCN(O)CC,0,0,0,,0,0,0 | |
| 2776 COc1ccc(N)cc1,0,,0,0,1,,1 | |
| 2777 CC(C)C=O,0,0,0,0,,0,0 | |
| 2778 COC(=O)N,0,0,0,0,0,0,0 | |
| 2779 Clc1cccc2C(=O)c3ccccc3C(=O)c12,,1,,,,,1 | |
| 2780 CC1C2CC(CC2C3CCCC(O)C3)C1(C)C,,1,,,,0,1 | |
| 2781 CCCCOCCOC(=O)C,,0,0,0,0,0,0 | |
| 2782 CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C,0,0,,0,,0,0 | |
| 2783 COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O,0,1,0,1,1,,1 | |
| 2784 CCOCCOCCO,0,0,0,0,0,0,0 | |
| 2785 O=C1CCCCCCCCCCC(=O)OCCO1,0,,,,,0,0 | |
| 2786 COP(=O)(OC)OC,0,0,0,0,0,0,0 | |
| 2787 Clc1ccccn1,0,0,0,0,0,0,0 | |
| 2788 NS(=O)(=O)c1cc(c(NCc2cccs2)cc1Cl)c3nn[nH]n3,0,0,0,0,,0,0 | |
| 2789 CC(C)COC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 2790 Cc1c(Br)c(O)c(Br)cc1C2(OS(=O)(=O)c3ccccc23)c4cc(Br)c(O)c(Br)c4C,,,0,,,0,0 | |
| 2791 CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,0,0,0,0,0,0,0 | |
| 2792 ClC(=O)OCc1ccccc1,0,0,0,0,0,0,0 | |
| 2793 CCOC(=O)C(CS)NCCNC(CS)C(=O)OCC,0,,0,0,0,,0 | |
| 2794 CC(=O)c1cccc(c1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 2795 CC(=O)CC(C)(C)C1CCCCC1,0,0,0,0,0,0,0 | |
| 2796 CCOC(=O)CC(C)C,0,0,0,0,0,0,0 | |
| 2797 Brc1ccccc1c2ccccc2,0,0,0,0,,0,0 | |
| 2798 COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC,1,1,1,1,0,,1 | |
| 2799 CN1C2CCC1CC(C2)NC(=O)N3C(=O)Nc4ccccc34,0,0,0,0,0,0,0 | |
| 2800 COc1ccc(CCN(CCc2ccc(OC)c(OC)c2OC)C(=O)C(C3=NCCc4cc(OC)c(OC)cc34)c5ccccc5)c(OC)c1OC,1,0,1,0,,1,1 | |
| 2801 CN(C)c1ccc(CCO)cc1,0,0,0,0,0,0,0 | |
| 2802 C[N+]12CCCCC1CCC(=C(c3cccs3)c4cccs4)C2,,,0,0,,,0 | |
| 2803 Cc1cc(Cl)c(C)cc1Cl,0,0,0,0,0,0,0 | |
| 2804 CC(N)COc1c(C)cccc1C,0,0,0,0,0,0,0 | |
| 2805 Oc1oc2ccc(Cl)cc2n1,0,,0,0,0,0,0 | |
| 2806 COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4CCCO4,0,0,0,0,0,0,0 | |
| 2807 CCN(CC)C(=O)NC1CC2C(Cc3c[nH]c4cccc2c34)N(C)C1,,,0,0,,,0 | |
| 2808 N#CSCc1ccccc1,,,1,0,,,1 | |
| 2809 Nc1cc(cnc1O)c2ccncc2,0,0,0,0,0,0,0 | |
| 2810 CC12CCC3C(CCc4cc(OC(=O)c5ccccc5)ccc34)C1CCC2O,1,1,1,0,0,,1 | |
| 2811 CCC12CC(=C)C3C(CCC4=CCCCC34)C1CCC2(O)C#C,1,1,,0,,,1 | |
| 2812 ClCC#CCOC(=O)Nc1cccc(Cl)c1,1,,1,,,1,1 | |
| 2813 CC1CC(C)(C)c2cc(C(=O)C)c(C)cc2C1(C)C,0,,0,,,0,0 | |
| 2814 Cc1ccccc1S,0,0,0,0,0,0,0 | |
| 2815 CCOP(=S)(OCC)Oc1nc(Cl)n(n1)C(C)C,0,0,0,0,0,0,0 | |
| 2816 COc1ccc(C(=O)CCC(=O)O)c2ccccc12,,,0,0,0,,0 | |
| 2817 CC(C)[N+](C)(CCC(C(=O)N)(c1ccccc1)c2ccccc2)C(C)C,0,0,0,0,0,0,0 | |
| 2818 Oc1ccnc(S)n1,0,0,0,0,0,0,0 | |
| 2819 CC1CCCNC1,,,0,0,0,0,0 | |
| 2820 CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,1,0,,1,,0,1 | |
| 2821 OCCN(CCO)c1ccccc1,0,0,0,0,0,0,0 | |
| 2822 OC(=O)C=Cc1c[nH]cn1,0,0,0,0,0,0,0 | |
| 2823 NC(C1CC(=NO1)Cl)C(=O)O,,,1,1,,,1 | |
| 2824 COc1cc(OC)cc(OC)c1,0,0,0,0,0,0,0 | |
| 2825 COC(=O)c1ccc(C(=O)OC)c(c1)C(=O)OC,0,0,0,0,0,0,0 | |
| 2826 c1ccc(cc1)C(c2ccc(cc2)c3ccccc3)n4ccnc4,1,,,1,,,1 | |
| 2827 CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C,0,0,0,0,0,,0 | |
| 2828 N(Nc1ccccc1)c2ccccc2,0,,0,0,,0,0 | |
| 2829 CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)NC(Cc3ccccc3)C(=O)NC(Cc4c[nH]c5ccccc45)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1,0,,0,0,0,,0 | |
| 2830 COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,0,0,0,0,0,0,0 | |
| 2831 CCCCC#N,0,0,0,0,0,0,0 | |
| 2832 CCOCCOCCOCC,0,0,0,0,0,0,0 | |
| 2833 Cc1ccccc1N,0,0,0,0,0,0,0 | |
| 2834 CCCCCCCCCCCCOCCOS(=O)(=O)O,0,,0,,,1,1 | |
| 2835 CCCCC(=O)O,0,0,0,0,0,0,0 | |
| 2836 COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC,,0,0,0,0,0,0 | |
| 2837 CC1(C)CCCC2(C)C1CCC3(C)OC(=O)CC23,,1,0,,,0,1 | |
| 2838 NC(C(=O)O)c1ccc(O)cc1,0,0,0,0,,0,0 | |
| 2839 ClCC=O,0,0,0,0,0,0,0 | |
| 2840 CC(C[N+](C)(C)C)OC(=O)C,0,0,0,0,0,0,0 | |
| 2841 CC1CC(=O)NN=C1c2ccc(NCC(C)(C)NCC(O)COc3cc(Cl)ccc3C#N)cc2,0,,0,0,0,0,0 | |
| 2842 N#CC(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 2843 CCCC(=O)Nc1ncnc2c1ncn2C3OC4COP(=O)(O)OC4C3OC(=O)CCC,0,,0,0,0,,0 | |
| 2844 Fc1ccc(C(=O)NS(=O)(=O)C=Cc2cccs2)c(Br)c1,1,1,,0,0,,1 | |
| 2845 OC1CCCNC1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2=O,0,,0,0,,,0 | |
| 2846 Nc1c(c(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F,1,1,,,,0,1 | |
| 2847 Cc1cc(c(O)c(c1)[N+](=O)[O-])[N+](=O)[O-],,,,0,,0,0 | |
| 2848 NC(=N)NCC1COC2(CCCCC2)O1,0,,0,0,0,,0 | |
| 2849 CC(C)(ON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C[n+]3ccccc3)c4csc(N)n4)C(=O)O,0,,,0,0,,0 | |
| 2850 CCC1(C)NC(=O)NC1=O,0,0,0,0,0,0,0 | |
| 2851 CCc1cccc(C)c1,0,0,0,0,0,0,0 | |
| 2852 CC=CC=CC(=O)O,0,0,0,0,0,0,0 | |
| 2853 CN1C(=O)c2ccccc2C1=O,0,0,0,0,0,0,0 | |
| 2854 CC=O,1,1,,1,1,,1 | |
| 2855 OC1=C(CC2=C(O)Oc3ccccc3C2=O)C(=O)c4ccccc4O1,,1,,,1,1,1 | |
| 2856 CC(=CC(=O)O)C=CC1(O)C(=CC(=O)CC1(C)C)C,0,,,0,0,0,0 | |
| 2857 CCNC(=S)NCC,0,0,0,0,0,0,0 | |
| 2858 OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,0,1,,1,0,1,1 | |
| 2859 CC1=CN(C2CC(F)C(CO)O2)C(=O)NC1=O,0,0,0,0,0,0,0 | |
| 2860 CN=C(NC#N)Nc1ccc(cc1)C2=NNC(=O)CC2C,0,0,0,0,,0,0 | |
| 2861 Oc1ccc2c(Cc3ccccc23)c1,,1,1,1,,1,1 | |
| 2862 Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl,1,1,,,,1,1 | |
| 2863 OCCOCCN1CCN(CC1)C2=Nc3ccccc3Sc4ccccc24,,0,0,0,,0,0 | |
| 2864 Oc1ccc(c(Cl)c1)c2ccccc2,,1,,0,,,1 | |
| 2865 CCCCCCCC1CCCC1=O,0,0,0,0,0,0,0 | |
| 2866 COC(OC)OC,0,0,0,0,0,0,0 | |
| 2867 CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2,1,,0,1,,,1 | |
| 2868 COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl,,1,1,1,,1,1 | |
| 2869 Nc1ccc2c(O)cc(cc2c1)S(=O)(=O)O,1,1,,1,1,,1 | |
| 2870 CCOc1ccc(CC2NC(=O)CCSSCC(NC(=O)C(CC(=O)N)NC(=O)C(NC(=O)C(NC2=O)C(C)CC)C(C)O)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)cc1,0,,0,0,0,,0 | |
| 2871 CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12,,,,1,0,0,1 | |
| 2872 CN1CC(CC2C1Cc3c[nH]c4cccc2c34)C(=O)NC5(C)OC6(O)C7CCCN7C(=O)C(Cc8ccccc8)N6C5=O,1,0,0,0,,,1 | |
| 2873 O=C1OC(=O)C2CCCCC12,0,0,0,0,0,0,0 | |
| 2874 OC(=O)c1ccccn1,0,0,0,0,0,0,0 | |
| 2875 NC(=N)N1CCc2ccccc2C1,0,0,0,0,0,0,0 | |
| 2876 CCCOC(=O)C,0,0,0,0,0,0,0 | |
| 2877 Nc1ccc2cc(cc(O)c2c1)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 2878 CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1,0,0,,1,0,0,1 | |
| 2879 NC(=O)NNc1ccccc1,0,0,0,0,0,0,0 | |
| 2880 CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,0,0,,0,0,0,0 | |
| 2881 CC1OC(OCC2OC(OC3=C(Oc4cc(OCCO)cc(O)c4C3=O)c5ccc(OCCO)c(OCCO)c5)C(O)C(O)C2O)C(O)C(O)C1O,0,,0,0,0,,0 | |
| 2882 COCCOCCO,0,0,0,0,0,0,0 | |
| 2883 ClCCl,0,0,0,0,0,0,0 | |
| 2884 CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C,1,1,1,1,0,,1 | |
| 2885 Nc1ccccc1,0,0,0,0,0,0,0 | |
| 2886 CC(C=CC(O)C1CC1)C2CCC3C(=CC=C4CC(O)CC(O)C4=C)CCCC23C,1,1,,0,,,1 | |
| 2887 Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)Cn4cnnn4)C3=O)C(=O)O)s1,,0,0,0,0,0,0 | |
| 2888 COc1ccc2[nH]c(nc2n1)S(=O)Cc3ncc(C)c(OC)c3C,0,,0,0,,0,0 | |
| 2889 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1,0,,0,0,,,0 | |
| 2890 CC1=CC(=O)CCC1,0,0,0,0,0,0,0 | |
| 2891 Clc1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 2892 COc1ccc(CCNCC(O)c2ccc(O)cc2)cc1OC,0,,0,0,0,,0 | |
| 2893 CC(C)c1nc(C)cc(O)n1,0,0,0,0,0,0,0 | |
| 2894 CC(C)CC(=O)OC(C)(CCC=C(C)C)C=C,0,0,0,0,,0,0 | |
| 2895 NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 2896 CCNc1nc(Cl)nc(NC(C)(C)C)n1,,1,1,,0,0,1 | |
| 2897 O=C1CCCCCO1,0,0,,0,0,0,0 | |
| 2898 Cc1cc(nc(Nc2ccccc2)n1)C3CC3,,1,,1,,0,1 | |
| 2899 CC(=CCCC(=CC#N)C)C,0,0,0,0,0,0,0 | |
| 2900 CC(C)(C)C(=O)CC(=O)C(C)(C)C,0,0,0,0,0,0,0 | |
| 2901 CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(=O)C)cc1,0,,0,0,0,0,0 | |
| 2902 CC1=C(C(C(=C(O)OCCN(Cc2ccccc2)c3ccccc3)C(=N1)C)c4cccc(c4)[N+](=O)[O-])P5(=O)OCC(C)(C)CO5,1,,1,,,1,1 | |
| 2903 CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1,,1,0,1,0,1,1 | |
| 2904 [N-]=[N+]=[N-],,,0,0,0,0,0 | |
| 2905 Cc1ccncc1,0,0,0,0,0,0,0 | |
| 2906 O=C(NC1CC1c2ccccc2)C3CCC(=O)N3,0,,0,0,0,,0 | |
| 2907 Oc1ccc2OCOc2c1,1,,0,,1,,1 | |
| 2908 ClCBr,0,0,0,0,0,0,0 | |
| 2909 COC(=O)c1ccc(cc1)C(=O)O,0,0,0,0,0,0,0 | |
| 2910 CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2,0,0,,0,0,0,0 | |
| 2911 CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c2cc(Br)c(OCCO)c(Br)c2,,1,,1,,1,1 | |
| 2912 CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO,0,0,0,0,0,0,0 | |
| 2913 COC(C)COC(C)COC(C)CO,0,0,0,0,0,0,0 | |
| 2914 Fc1ccc(cc1)C2C(=O)c3ccccc3C2=O,0,,0,0,0,,0 | |
| 2915 CCN1C(=CC=CC=Cc2sc3ccccc3[n+]2CC)Sc4ccccc14,,1,,,,,1 | |
| 2916 CN1CCN(CCC(=O)N2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,0,0,,0,,,0 | |
| 2917 CN1C(=O)C(NC(=O)c2cc3ccccc3[nH]2)N=C(c4ccccc4)c5ccccc15,1,1,,1,1,1,1 | |
| 2918 C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2c3ccccc13)C4c5ccccc5c6ccccc46,0,,0,0,0,,0 | |
| 2919 COc1cc(ccc1O)C2Oc3cc(ccc3OC2CO)C4Oc5cc(O)cc(O)c5C(=O)C4O,,,0,0,0,0,0 | |
| 2920 CCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)COC(=O)CC,1,1,1,1,0,,1 | |
| 2921 CCCCCCCCCCCCCOS(=O)(=O)O,,1,,0,,1,1 | |
| 2922 NC(=O)N1C(=O)C(C(=O)c2cc(Cl)cs2)c3cc(F)c(Cl)cc13,1,,1,,,1,1 | |
| 2923 CNC(=O)ON=C(C)C(C)S(=O)(=O)C,0,0,0,0,0,0,0 | |
| 2924 CC(C)COC(=O)OCN1C(=O)CN(CCN2CC(=O)N(COC(=O)OCC(C)C)C(=O)C2)CC1=O,0,,0,,0,,0 | |
| 2925 NCCCNCCCCNC(=O)C(O)NC(=O)CCCCCCN=C(N)N,0,,0,0,0,,0 | |
| 2926 CC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC4(O)C(=O)CO,1,1,1,1,,,1 | |
| 2927 CC(=O)c1ccccc1O,0,0,0,,0,0,0 | |
| 2928 [O-][N+](=O)c1ccc(cc1)c2oc(C=NN3CC(=O)NC3=O)cc2,0,,0,0,,0,0 | |
| 2929 CC(C)(O)C(=O)c1ccccc1,0,0,0,0,,0,0 | |
| 2930 O=C1NC(=O)c2cccc3cccc1c23,0,,0,0,0,0,0 | |
| 2931 CC(C)(C)C(=O)OCOC(=O)C1N2C(SC1(C)C)C(N=CN3CCCCCC3)C2=O,0,,0,0,0,,0 | |
| 2932 CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(C)C)[N+](=O)[O-],0,0,0,0,,0,0 | |
| 2933 Cc1ccccc1C=O,0,0,0,0,0,0,0 | |
| 2934 CC(=O)OC(C)(C)Cc1ccccc1,,0,0,0,0,0,0 | |
| 2935 O=CN1CCOCC1,0,0,0,0,0,0,0 | |
| 2936 NC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,0,0,0,0,,0,0 | |
| 2937 CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(=O)C)C2C(OC(=O)c4ccccc4)C5(O)CC(OC(=O)C(O)C(NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C,1,,,0,,,1 | |
| 2938 CC(O)CCO,0,0,0,0,0,0,0 | |
| 2939 Cn1c(N)nc2ncnc2c1O,,,0,0,0,0,0 | |
| 2940 CS(=O)(=O)O,,0,0,0,0,0,0 | |
| 2941 Nc1nc(O)c2ncn(CCC(CO)CO)c2n1,0,0,0,0,0,0,0 | |
| 2942 CCC(CN)CC(C)CCNCC(O)CNCC(C)CC(CC)CN,0,,0,0,0,,0 | |
| 2943 CC(C)CC(O)Cc1ccccc1,0,0,0,0,0,0,0 | |
| 2944 CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(OCCO)C1OC(CC1OCCO)OCCO,,0,0,,0,,0 | |
| 2945 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C[n+]3ccc(N)n3CCO)c4csc(N)n4,0,,0,0,0,,0 | |
| 2946 CCCCCC(O)C=CC1C(O)CC(=O)C1CCCCCCC(=O)O,1,1,,0,0,,1 | |
| 2947 CNC(=C[N+](=O)[O-])NCCSCc1oc(CN(C)C)cc1,0,0,0,0,0,0,0 | |
| 2948 OCc1occc1,,0,0,0,0,0,0 | |
| 2949 CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2,1,,0,0,0,0,1 | |
| 2950 CCN(CC)CCOC(=O)c1ccc(N)cc1,0,0,0,0,0,0,0 | |
| 2951 OCCCc1ccccc1,0,0,0,0,0,0,0 | |
| 2952 CC(C)COC(=O)c1ccc(O)cc1,,1,0,1,,0,1 | |
| 2953 CC(C)(C)C(=O)Cl,0,0,0,0,0,,0 | |
| 2954 Oc1c(Cl)cc(Cl)cc1C(=O)Nc2ccc(Cl)c(Cl)c2,,1,1,,,,1 | |
| 2955 CCCC(C)(COC(=O)N)COC(=O)NC1CC1,0,,0,0,0,,0 | |
| 2956 CN1CCOCC1,0,0,0,0,0,0,0 | |
| 2957 CCOC(=S)S,,0,0,,1,,1 | |
| 2958 CCCC(=O)OC1(CCC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)COC(=O)C,1,1,1,1,0,,1 | |
| 2959 CCNC1(CCCCC1=O)c2cccs2,0,,0,0,0,,0 | |
| 2960 COc1cc(CC(C)C)cc(OC)c1OC,0,0,0,0,0,,0 | |
| 2961 CCCCCCCCCCCCCCCO,0,0,0,0,0,0,0 | |
| 2962 Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34,,,,1,,,1 | |
| 2963 COc1c(C)c2COC(=O)c2c(O)c1CC=C(C)CCC(=O)O,,1,1,1,,1,1 | |
| 2964 OC(=O)CCCCCCCCCCCC(=O)O,0,0,0,,0,0,0 | |
| 2965 OC(=O)C(Cl)(Cl)Br,0,0,0,0,0,0,0 | |
| 2966 CCCCCCCOC(=O)C,0,0,0,0,0,0,0 | |
| 2967 CN(C)c1ccc(cc1)N=NS(=O)(=O)O,,,,0,,0,0 | |
| 2968 Cc1ccc(cc1)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 2969 CCCC[n+]1ccc(C)cc1,0,0,0,0,0,0,0 | |
| 2970 CCC(CO)NCCNC(CC)CO,0,0,0,0,0,0,0 | |
| 2971 CCCCCCCCCCCCCO,0,,0,0,0,0,0 | |
| 2972 CCN(CC)CCSCC(=O)OC1CC(C)(C=C)C(O)C(C)C23CCC(C)C1(C)C2C(=O)CC3,0,,,0,,,0 | |
| 2973 CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(=O)O,,,0,0,0,,0 | |
| 2974 COc1cc(cc(OC)c1O)C2C3C(COC3=O)C(OC4OC5COC(C)OC5C(O)C4O)c6cc7OCOc7cc26,1,1,,0,,,1 | |
| 2975 CC(=O)OC(=O)C,0,0,0,0,0,0,0 | |
| 2976 Brc1c(Br)c(Br)c(Br)c(Br)c1Br,0,0,0,0,0,0,0 | |
| 2977 CCCc1ccc(OC)cc1,0,0,0,0,0,0,0 | |
| 2978 OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,,0,0,0,0,1,1 | |
| 2979 CC(=NO)C(=NO)C,0,,0,0,,0,0 | |
| 2980 O=C1Nc2ccccc2C1=O,0,0,0,0,0,0,0 | |
| 2981 CCN(CC)c1ccc(N=Nc2ccc(cc2)S(=O)(=O)N(C)C)c(c1)S(=O)(=O)NCC[n+]3ccccc3,0,,,0,0,,0 | |
| 2982 CN(C)CCOC(=O)C=C,0,0,0,0,0,0,0 | |
| 2983 OC1CC(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)(OC(=O)C=Cc3ccc(O)c(O)c3)C(=O)O,0,0,0,0,0,0,0 | |
| 2984 OC(=O)CN1c2ccccc2C(=O)c3ccccc13,,,1,0,0,1,1 | |
| 2985 Cc1cc(C)c(C=C2C(=O)Nc3ccccc23)[nH]1,,1,1,0,,1,1 | |
| 2986 CCC1NC(=O)c2cc(c(Cl)cc2N1)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 2987 CCCCCC(O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O,1,,1,0,,0,1 | |
| 2988 CCCC(C)C,0,0,0,0,0,0,0 | |
| 2989 CC(C)NCC(O)COc1ccc(NC(=O)C)cc1,0,0,0,0,0,0,0 | |
| 2990 CCOC(=O)C1(Oc2ccccc2C1N)c3ccccc3,,1,,1,,,1 | |
| 2991 CC(C)Nc1ccc(NC(C)C)c2C(=O)c3ccccc3C(=O)c12,0,,0,,,0,0 | |
| 2992 C(C=Cc1ccccc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4,0,0,,0,,0,0 | |
| 2993 [O-][N+](=O)c1ccc(Cl)c(Cl)c1,0,0,0,0,0,0,0 | |
| 2994 CCOP(=S)(OCC)OC(Cl)C(Cl)(Cl)Cl,0,0,0,1,,,1 | |
| 2995 CCC(CC)(CC(=O)Nc1cccc(C=Cc2nc(cs2)C3CCC3)c1)C(=O)O,,,0,0,,1,1 | |
| 2996 Ic1ccccc1C(=O)Nc2ccccc2,1,,0,,0,0,1 | |
| 2997 CCCCCCCCCCC=CC#N,0,0,0,0,0,0,0 | |
| 2998 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,0,,0,0,0,,0 | |
| 2999 CC1OC(=O)C(C)OC1=O,0,0,0,0,0,0,0 | |
| 3000 CC1OC(CC(O)C1OC2CC(O)C(OC3CC(OC(=O)C)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CCC8(C)C(CCC78O)C9=CC(=O)OC9)C5,1,,,,0,,1 | |
| 3001 CCCCCC(=O)C,0,0,0,0,0,0,0 | |
| 3002 OCCOc1cccc(OCCO)c1,0,0,0,0,0,0,0 | |
| 3003 CCCCCCOC(=O)C(C)CC,0,0,0,0,0,0,0 | |
| 3004 CCCCCCCCCCCCCCCCSCC(COC)COP(=O)(O)OCC[N+](C)(C)C,,1,,0,,,1 | |
| 3005 CNC(=O)N(C)c1nnc(s1)C(C)(C)C,0,0,0,0,0,0,0 | |
| 3006 Cc1c(Cl)cccc1Nc2ncccc2C(=O)O,1,1,0,1,,,1 | |
| 3007 NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl,0,0,0,0,0,0,0 | |
| 3008 Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3ccc(OCCN4CCOCC4)c5ccccc35)C(C)(C)C,,1,,0,,1,1 | |
| 3009 [O-][N+](=O)c1cc(Cl)c(Cl)cc1Cl,0,0,,0,0,0,0 | |
| 3010 ClC1=C(Cl)C2(Cl)C3C(C(=O)OC3=O)C1(Cl)C2(Cl)Cl,0,0,0,0,0,0,0 | |
| 3011 CCSCC,,,0,0,0,0,0 | |
| 3012 Oc1ccc(Cl)c2CCCc12,0,,0,0,0,,0 | |
| 3013 CC(C)(O)Cc1ccccc1,0,0,0,0,0,,0 | |
| 3014 COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 3015 Clc1ccc(Cl)c(Cl)c1,0,0,0,0,,0,0 | |
| 3016 [O-][N+](=O)c1ccc2CCc3cccc1c23,1,1,,0,0,0,1 | |
| 3017 CCCCOC(=O)c1ccccc1C(=O)OCCCC,0,0,0,0,0,0,0 | |
| 3018 CC(c1ccc(C)c(C)c1)c2ccc(C)c(C)c2,0,0,0,,0,0,0 | |
| 3019 CCN(CC)CCOC(=O)C(C1CCCCC1)c2ccccc2,0,0,0,0,,0,0 | |
| 3020 CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN4CCN(C)CC4)c2c1,,,0,,,,0 | |
| 3021 Nc1c2CCCc2nc3CCCCc13,0,0,0,0,0,0,0 | |
| 3022 CCOc1ccc(cc1)[N+](=O)[O-],1,1,,,,,1 | |
| 3023 CCc1cc(cc2OCOc12)C3=C(N(c4ccccc4C(F)(F)F)S(=O)(=O)c5ccccc35)C(=O)O,1,,,0,0,1,1 | |
| 3024 CCCC[n+]1cccc(C)c1,0,0,0,0,0,0,0 | |
| 3025 Oc1c(I)cc(cc1I)C#N,,1,,1,,,1 | |
| 3026 OC(=O)CCNC(=O)c1ccc(cc1)N=Nc2ccc(O)c(c2)C(=O)O,,0,0,0,0,0,0 | |
| 3027 CC1CS(=O)(=O)CCN1N=Cc2oc(cc2)[N+](=O)[O-],0,,0,0,0,,0 | |
| 3028 OCCc1ccccc1,0,0,0,0,0,0,0 | |
| 3029 CN1C(=O)N(Cc2cnc(Nc3ccc4OC(CO)COc4c3)nc12)c5ccccc5Br,,1,,,,,1 | |
| 3030 Cc1cnc2c(C(=O)O)c(Cl)ccc2c1,0,0,0,0,0,0,0 | |
| 3031 OC(=O)c1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 3032 C[N+]1(C)CCC(C1)OC(=O)C(O)(C2CCCC2)c3ccccc3,0,0,0,0,0,0,0 | |
| 3033 COc1ccc(CC(N)C(=O)NC2C(CO)OC(C2O)n3cnc4c(ncnc34)N(C)C)cc1,,1,1,,,,1 | |
| 3034 OC1C(O)C(O)C(O)C(O)C1O,0,0,0,0,0,0,0 | |
| 3035 CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1,1,,0,0,0,,1 | |
| 3036 CC(=CCCC(C)(OC(=O)c1ccccc1N)C=C)C,0,0,0,0,0,0,0 | |
| 3037 ClCCNP1(=O)OCCCN1CCCl,0,0,0,0,0,0,0 | |
| 3038 OC1OC2C(O)C(OC2=O)C1O,0,,0,0,0,,0 | |
| 3039 Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1,,1,1,,,1,1 | |
| 3040 COc1cccc(N)c1,0,1,,0,0,1,1 | |
| 3041 NCCc1ccc(O)cc1,0,0,0,0,0,0,0 | |
| 3042 CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(CC(C)C(=O)C(C)C3N(CCCCn4cnc(c4)c5cccnc5)C(=O)OC13C)OC,,,0,0,0,,0 | |
| 3043 CCCN1CCCCC1C(=O)Nc2c(C)cccc2C,0,0,0,0,0,0,0 | |
| 3044 CCN(CC)CCNC(=O)c1ccc(N)cc1,0,0,0,0,0,0,0 | |
| 3045 Cc1ccccc1CNc2ncnc3c2ncn3C4OC(CO)C(O)C4O,,,,1,0,,1 | |
| 3046 Nc1cc(N)cc(c1)C(=O)O,0,0,0,0,0,0,0 | |
| 3047 CCCCCCCCCCCCCCCCCCCCCCO,0,,0,0,0,,0 | |
| 3048 COc1ccc2CC3NCCC45C(Oc1c24)C(O)C=CC35,0,,0,0,0,,0 | |
| 3049 Cc1cc(cc(C)c1O)C(C)(C)c2cc(C)c(O)c(C)c2,,1,1,,,,1 | |
| 3050 C[n+]1ccn(Cc2ccccc2)c1,,,0,0,0,0,0 | |
| 3051 CCC(=O)c1ccc(O)cc1,0,0,0,0,0,0,0 | |
| 3052 Cc1ccc(cc1N)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 3053 OC(=O)CSCC(=O)NC1CCSC1=O,0,0,0,0,0,0,0 | |
| 3054 O=C1CC2(CCCC2)CC(=O)N1CCNCC3COc4ccccc4O3,,,0,,,,0 | |
| 3055 COP(=O)(OC)OC=C(Cl)Cl,0,,0,0,0,,0 | |
| 3056 Clc1ccccc1C=O,0,0,0,0,0,0,0 | |
| 3057 CCC=CC#N,0,0,0,0,0,0,0 | |
| 3058 Cc1cc(O)ccc1Cl,0,0,0,0,0,0,0 | |
| 3059 CCN1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CCNCC3,0,0,0,0,0,0,0 | |
| 3060 OC(C=CC(=O)O)c1ccc(Cl)cc1,,,0,0,0,,0 | |
| 3061 NCC1CCCC(CN)C1,0,0,0,0,0,0,0 | |
| 3062 CCCCCCC(CCC)C(=O)O,1,0,,0,0,,1 | |
| 3063 Nc1cc(cc2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 3064 CC12CCC(C1)C(C)(C)C2=O,0,,0,0,0,,0 | |
| 3065 CC(=O)NC(CC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O,,,,0,0,,0 | |
| 3066 OC(=O)C(=O)O,0,0,0,0,0,0,0 | |
| 3067 Nc1ccc2c3ccccc3c4cccc1c24,,1,1,1,1,1,1 | |
| 3068 c1ccc(cc1)N=Nc2ccccc2,0,,0,0,0,,0 | |
| 3069 CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,,1,1,0,,,1 | |
| 3070 COC(=O)C1CC2=CC(=O)CCC2(C)C34OC3CC5(C)C(CCC56CCC(=O)O6)C14,1,0,,,0,0,1 | |
| 3071 OC(=O)c1cccc(C(=O)O)c1C(=O)O,0,0,0,0,0,0,0 | |
| 3072 NC(CO)(CO)CO,0,0,0,0,0,0,0 | |
| 3073 O=C1CCCCCN1,0,,0,0,0,0,0 | |
| 3074 NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1Cl,,,0,0,0,,0 | |
| 3075 CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F,0,0,,0,,,0 | |
| 3076 O=C(OCc1ccccc1)C(=O)OCc2ccccc2,0,0,0,0,0,0,0 | |
| 3077 COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(OC)c3C,,0,,0,0,,0 | |
| 3078 CC(C)OC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 3079 Nc1ccnc(O)n1,0,0,0,0,0,0,0 | |
| 3080 OC(=O)Cn1c(cc2ccccc12)C(=O)Nc3nc(cs3)c4ccccc4Cl,,0,0,0,,1,1 | |
| 3081 CCOC(=O)CC1(C)OCC(C)O1,0,0,0,0,0,0,0 | |
| 3082 CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C,0,0,0,0,0,,0 | |
| 3083 OS(=O)(=O)c1cccc(c1)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 3084 OC(=O)c1ccc2cc(O)ccc2c1,,0,,0,0,0,0 | |
| 3085 Cc1cc(ccc1N)[N+](=O)[O-],1,0,0,0,0,,1 | |
| 3086 CNCCC(Oc1ccccc1C)c2ccccc2,,0,0,0,,,0 | |
| 3087 CSc1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 3088 Cc1ccc(OC(=O)c2ccccc2O)cc1,0,0,0,,0,0,0 | |
| 3089 CC(C)CC(C)CC(O)CC(C)C,0,0,0,0,0,0,0 | |
| 3090 CC(C)(C)OC(=O)N1CC(F)CC1C(=O)O,0,0,0,0,0,0,0 | |
| 3091 C[N+](C)(C)CCCCCC[N+](C)(C)C,0,0,0,0,0,0,0 | |
| 3092 CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O,0,,,0,0,,0 | |
| 3093 CC1CCC2(NC1)OC3CC4C5CCC6CC(CCC6(C)C5CCC4(C)C3C2C)OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OCC(O)C(O)C9O)C8OC%10OC(CO)C(O)C(O)C%10O)C(O)C7O,,1,,,,,1 | |
| 3094 Oc1ccc(O)c2c(O)cccc12,0,0,0,0,0,0,0 | |
| 3095 Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N,0,0,0,0,0,0,0 | |
| 3096 CCCC=C(CC)C=O,0,0,0,0,0,0,0 | |
| 3097 O=P(c1ccccc1)(c2ccccc2)c3ccccc3,0,0,0,0,,0,0 | |
| 3098 Cc1ccc2oc(CN(Cc3ccccc3)C(=O)Nc4c(F)cc(F)cc4F)c(c5ccc(Cl)cc5)c2c1,,0,0,,1,0,1 | |
| 3099 COCCOC(=O)c1ccccc1C(=O)OCCOC,0,0,0,0,0,0,0 | |
| 3100 CC(=O)Nc1ccc(C)c(Cl)c1,0,0,,0,0,0,0 | |
| 3101 Nc1nc(O)c2ncn(COC(CO)CO)c2n1,,,0,0,0,0,0 | |
| 3102 CCC(Cl)CCl,0,0,0,0,,0,0 | |
| 3103 CC(=O)c1cccnc1,0,0,0,0,0,,0 | |
| 3104 O=C(Oc1ccccc1)Oc2ccccc2,0,0,0,0,0,0,0 | |
| 3105 COC(C)(C)CC(=O)C,0,0,0,0,0,0,0 | |
| 3106 CCOS(=O)(=O)OCC,0,0,0,0,0,0,0 | |
| 3107 CCCCCCCCCCCCN1CCOCC1,0,0,0,0,0,0,0 | |
| 3108 CCN(CC)CC,0,0,0,0,0,0,0 | |
| 3109 CNC(=O)C,0,0,0,0,0,0,0 | |
| 3110 NC(=O)C(Cl)Cl,0,0,0,0,0,0,0 | |
| 3111 CCN(CC#N)c1cccc(C)c1,0,0,0,0,0,0,0 | |
| 3112 CC(C)c1ccc(C)c2ccc(C)c2c1,0,0,0,0,0,0,0 | |
| 3113 COC(=O)CCCCCCCCC=C,0,,0,0,0,,0 | |
| 3114 CC(C)OC(=O)CCCCC(=O)OC(C)C,,,0,0,0,0,0 | |
| 3115 CCCCNC(=S)NCCCC,,0,0,0,0,0,0 | |
| 3116 O=C1NC(=O)C2CC=CCC12,0,0,0,0,0,0,0 | |
| 3117 CCCCC(CC)CO[P+](=O)OCC(CC)CCCC,0,0,0,0,0,0,0 | |
| 3118 C[N+](C)(C)CCCl,0,,0,0,0,0,0 | |
| 3119 CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(C2O)N(C)C)C1OC,0,,0,0,0,,0 | |
| 3120 Clc1ccc(c(Cl)c1)C2(Cn3cncn3)CC(Br)CO2,1,,,1,1,0,1 | |
| 3121 CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1,1,,0,0,0,,1 | |
| 3122 CCCCCC=CCCC(=O)NC1C(O)C(O)C(CO)OC1Oc2c3Oc4ccc(CC5NC(=O)C(N)c6ccc(O)c(Oc7cc(O)cc(c7)C(NC5=O)C(=O)NC8C(=O)NC9C(=O)NC(C(OC%10OC(CO)C(O)C(O)C%10NC(=O)C)c%11ccc(Oc2cc8c3)c(Cl)c%11)C(=O)NC(C(=O)O)c%12cc(O)cc(OC%13OC(CO)C(O)C(O)C%13O)c%12c%14cc9ccc%14O)c6)cc4Cl,,,0,0,1,,1 | |
| 3123 C[N+](C)(C)CCOC(=O)C=C,0,0,0,0,0,0,0 | |
| 3124 FC(F)(F)COCC(F)(F)F,0,,0,0,,,0 | |
| 3125 c1ccc2c(c1)ccc3c4ccccc4ccc23,0,0,0,,,0,0 | |
| 3126 CCC=CCCC=CCO,0,0,0,0,0,0,0 | |
| 3127 Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4n12,,1,,0,0,,1 | |
| 3128 COP(=S)(OC)Oc1ccc(SC)c(C)c1,0,0,0,0,0,0,0 | |
| 3129 CN(C)CCCN(C)CCCN(C)C,0,0,0,,0,0,0 | |
| 3130 Cc1cc(C)cc(N)c1,0,0,0,0,0,0,0 | |
| 3131 CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OCC5COC(Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4,0,1,,0,,0,1 | |
| 3132 CCCCC(=O)Cl,,0,0,0,0,0,0 | |
| 3133 CC(C)Cn1cnc2c(N)nc3ccccc3c12,,,0,0,,0,0 | |
| 3134 CC(=O)OC1CCC2(C)C3CCC4(C)C(CC=C4c5cccnc5)C3CC=C2C1,0,1,,0,1,,1 | |
| 3135 CCCCCCOCCOCCO,0,0,0,0,0,0,0 | |
| 3136 OCCCC(=O)O,0,,0,0,0,,0 | |
| 3137 CC1=CCC(CC=O)C1(C)C,0,0,0,0,0,0,0 | |
| 3138 COC(=O)OC,0,0,0,0,0,0,0 | |
| 3139 Clc1ccc(cc1)C(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 3140 Cc1c(N)cccc1Cl,0,0,0,0,0,0,0 | |
| 3141 CC(C)(C)C1CCC(CC2=C(O)C(=O)c3ccccc3C2=O)CC1,,,,,,1,1 | |
| 3142 CN(C)C(=O)CNC(=O)Cc1ccccc1,0,0,0,0,0,0,0 | |
| 3143 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2OC(=O)CCc5ccccc5,1,1,1,1,1,,1 | |
| 3144 CCN(CC)c1ccc(N)cc1,,,,,,0,0 | |
| 3145 O=C1CCc2ccccc2O1,0,0,0,0,0,0,0 | |
| 3146 CC12CCC(O)CC1CCC3C2CC(O)C4(C)C(CCC34O)C5=CC(=O)OC5,,1,,,,,1 | |
| 3147 CC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(CCO)CC4)c2c1,,,0,,,,0 | |
| 3148 CCSCc1ccccc1OC(=O)NC,0,0,0,0,0,0,0 | |
| 3149 CC(CCC(=O)O)(c1ccc(O)cc1)c2ccc(O)cc2,0,0,0,0,0,0,0 | |
| 3150 Cc1ccc(c(O)c1)C(C)(C)C,,0,0,,,0,0 | |
| 3151 Cc1cccc(O)c1N,1,,0,,,,1 | |
| 3152 CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C,0,,0,0,0,,0 | |
| 3153 CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(cc2S1(=O)=O)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 3154 Cc1ccnc(N)c1,0,0,0,0,0,0,0 | |
| 3155 Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,0,0,0,0,0,0,0 | |
| 3156 Cc1occc1,0,0,0,0,0,0,0 | |
| 3157 COC1=CC(=O)OC(CCc2ccccc2)C1,,0,0,0,0,0,0 | |
| 3158 CCCCCCCCCC(=O)NO,0,,1,1,0,,1 | |
| 3159 NCCCOCCOCCOCCCN,0,0,0,0,0,0,0 | |
| 3160 FC(F)(F)c1cccc(c1)N=C=O,,,,1,,,1 | |
| 3161 CN(C1CCCCC1)C(=O)CCCOc2ccc3nc(O)ccc3c2,0,1,0,0,0,,1 | |
| 3162 CCCCC(CC)COC(=O)c1ccc(cc1)N(C)C,0,0,0,0,,0,0 | |
| 3163 COc1ccccc1[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 3164 Oc1[nH]cnc2ncc(CN3CCCCC3)c12,0,,0,0,0,,0 | |
| 3165 CC(CN(CCN(CC(C)OCCO)CC(C)OCCO)CC(C)OCCO)OCCO,0,0,0,0,0,0,0 | |
| 3166 NC(=O)c1ccccc1O,0,0,0,0,0,0,0 | |
| 3167 OC(=O)CC1=NN(Cc2ccc(Br)cc2F)C(=O)c3ccccc13,0,,0,0,0,,0 | |
| 3168 COc1ccc(cc1[N+](=O)[O-])C(=O)Nc2ccccc2,,1,,1,0,,1 | |
| 3169 O=Cc1ccccc1C=O,1,1,1,0,,1,1 | |
| 3170 CCC1C(=NN=C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13)C,0,,,0,0,,0 | |
| 3171 C1CN=C(N1)C2COc3ccccc3O2,1,,,,,,1 | |
| 3172 CS(=O)(=O)c1ccc(cc1Cl)C(CC2CCC(=O)C2)C(=O)Nc3cnccn3,0,,0,0,0,0,0 | |
| 3173 OC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC6CCC6)c45,,1,0,,0,,1 | |
| 3174 OC(=O)CC(=O)C(=O)O,0,0,0,0,0,0,0 | |
| 3175 OC(C#CCN1CCCC1)(c2ccccc2)c3ccccc3,0,0,0,0,,0,0 | |
| 3176 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)[N+](=O)[O-],0,0,0,0,0,,0 | |
| 3177 CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,0,,,0,0,,0 | |
| 3178 CC(C)CC(NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc4c[nH]cn4)NC(=O)C5CCC(=O)N5)C(=O)NC(CCCN=C(N)N)C(=O)N6CCCC6C(=O)NCC(=O)N,0,,0,0,0,0,0 | |
| 3179 Cc1ncsc1CCO,0,0,0,0,0,0,0 | |
| 3180 CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1,,1,,,,1,1 | |
| 3181 Cc1c(c2cccnc2)c3ccccc3n1CCCCC(=O)O,0,0,0,,0,1,1 | |
| 3182 CCC1=C(O)C(=O)C=CO1,0,,0,0,0,0,0 | |
| 3183 CC(C)(CCl)C(=O)Cl,0,,0,1,0,0,1 | |
| 3184 CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)c3ccc(Cl)cc3,0,,0,0,1,1,1 | |
| 3185 COC(=O)CC(=O)OC,0,0,0,0,0,0,0 | |
| 3186 CCc1ccc(O)cc1,0,0,0,0,0,0,0 | |
| 3187 ClCC(=O)CCl,1,1,1,,,1,1 | |
| 3188 OC(=O)c1ccc(cc1C(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 3189 COc1ccc(NC(=O)CC(=O)C)cc1,0,0,0,0,0,0,0 | |
| 3190 CN(C)C(=O)C,0,0,0,0,,0,0 | |
| 3191 Cc1cc(O)c(Cl)cc1C,0,0,0,0,0,0,0 | |
| 3192 CCOc1ccc(c2cccnc12)S(=O)(=O)O,0,1,0,0,0,,1 | |
| 3193 Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(Oc3ncc(cc3Cl)C(F)(F)F)c(Cl)c2,,1,,,1,,1 | |
| 3194 CN1CC(=O)N=C1N,0,0,0,0,0,0,0 | |
| 3195 CC(=CCCC(=CCO)C)C,0,0,0,0,0,0,0 | |
| 3196 CC(c1ccc(O)cc1)(c2ccc(O)cc2)c3ccc(O)cc3,1,1,1,,,,1 | |
| 3197 CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(=CCC3N)CN)C2O)OCC1(C)O,0,0,0,0,0,0,0 | |
| 3198 NC(=O)N=NC(=O)N,0,0,0,0,0,0,0 | |
| 3199 CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1,0,0,0,0,0,0,0 | |
| 3200 CC1(C)C2CCC1(C)C(=O)C2,0,0,0,0,0,0,0 | |
| 3201 COC(=O)Cc1ccccc1,0,0,0,0,0,0,0 | |
| 3202 C1C=CCC2C=CCC12,,0,0,0,,0,0 | |
| 3203 CCOP(=S)(CC)Sc1ccccc1,0,0,0,1,,0,1 | |
| 3204 CC1CCCCC1NC(=O)Nc2ccccc2,0,,0,1,0,,1 | |
| 3205 OCCN1CCN(CCS(=O)(=O)O)CC1,0,0,0,0,0,0,0 | |
| 3206 CCCCCc1ccc(C)cc1O,,,,0,,,0 | |
| 3207 O=NN1CCNCC1,0,0,0,0,0,0,0 | |
| 3208 N#CCc1ccccc1,0,0,,0,0,0,0 | |
| 3209 OCC(=C(Br)CO)Br,,0,0,0,,0,0 | |
| 3210 CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)OC2CC3CN4CCc5c([nH]c6cc(OC)ccc56)C4CC3C(C2OC)C(=O)OC,1,,,0,,,1 | |
| 3211 CC(N)C(=O)NC(C)P(=O)(O)O,0,,0,0,0,,0 | |
| 3212 CCOc1ccc2nc(sc2c1)S(=O)(=O)N,1,1,,,0,,1 | |
| 3213 CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)c3ccccc3c4nn[nH]n4,,0,0,0,0,1,1 | |
| 3214 Cc1cc(C)c(C(=O)O)c(C)c1,0,0,0,0,0,0,0 | |
| 3215 CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3,1,,,0,,,1 | |
| 3216 OC(=O)C(Cl)Cl,0,0,0,0,0,0,0 | |
| 3217 CN1CCC(O)(C(C1)C(=O)c2ccc(F)cc2)c3ccc(F)cc3,,0,0,0,,0,0 | |
| 3218 C=CCOC(=O)C=CC(=O)OCC=C,,0,,,,1,1 | |
| 3219 CC(C)CC=C(C=O)c1ccccc1,,0,,0,0,0,0 | |
| 3220 Cc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)cc1,0,0,0,0,0,0,0 | |
| 3221 NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N,0,0,0,0,0,0,0 | |
| 3222 CC[N+](C)(C)Cc1ccccc1Br,0,,0,0,0,,0 | |
| 3223 Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCC2,0,0,0,0,0,0,0 | |
| 3224 CCC(CO)NC(=O)C1CN(C)C2Cc3cn(C)c4cccc(C2=C1)c34,,,0,0,0,0,0 | |
| 3225 COC1(NC(=O)C(C(=O)O)c2ccc(O)cc2)C3OCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C,0,0,0,0,0,0,0 | |
| 3226 OCS(=O)(=O)O,0,0,0,0,0,0,0 | |
| 3227 C[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3,,,1,1,0,0,1 | |
| 3228 OCS(=O)O,0,0,0,0,0,0,0 | |
| 3229 OCNC(=O)CCl,0,0,,0,0,0,0 | |
| 3230 ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O,0,0,0,0,0,0,0 | |
| 3231 CCOC(=O)c1ccccc1C(=O)OCC,0,0,0,0,0,0,0 | |
| 3232 CC(=O)Nc1ccc(cc1)C(=O)O,0,0,0,0,0,0,0 | |
| 3233 CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O,0,0,0,0,0,0,0 | |
| 3234 C(N1CCN(CC1)c2ncccn2)c3ccc4OCOc4c3,0,0,0,0,0,0,0 | |
| 3235 CC(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 3236 CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1,0,,0,0,0,0,0 | |
| 3237 CNC(=O)Oc1ccccc1C(=O)Nc2ccccc2,1,1,,1,1,,1 | |
| 3238 FC(F)C(F)(F)Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl,1,1,,1,0,0,1 | |
| 3239 SCCSCCS,0,0,0,0,0,0,0 | |
| 3240 O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4,0,,0,0,0,0,0 | |
| 3241 COc1cc2CCN3C(=O)N(C)C(=Nc4c(C)cc(C)cc4C)C=C3c2cc1OC,,,,,,1,1 | |
| 3242 CC1(C)CC(O)CC(C)(C)N1[O],0,0,0,0,0,0,0 | |
| 3243 OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3,0,0,0,0,0,0,0 | |
| 3244 COC(=O)c1ccccc1O,0,0,0,0,0,0,0 | |
| 3245 CCOC(=O)CC(O)C(=O)OCC,0,0,0,0,0,0,0 | |
| 3246 CCN(CCCc1ccccc1)CCCc2ccccc2,0,0,0,0,,0,0 | |
| 3247 CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2,0,0,0,0,0,0,0 | |
| 3248 Oc1ccc2SC(=O)Oc2c1,,,1,0,,,1 | |
| 3249 Oc1ccc(cc1)C2(C(=O)Nc3ccccc23)c4ccc(O)cc4,1,1,1,1,,1,1 | |
| 3250 CN1C=CC=CC1=CN=O,0,0,0,0,0,0,0 | |
| 3251 CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,0,0,0,0,0,0,0 | |
| 3252 CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2,,1,,,,0,1 | |
| 3253 CC(=C)C(=O)NCCC[N+](C)(C)C,0,0,0,0,0,0,0 | |
| 3254 CCOC(=O)COc1ccc2C(=O)C=C(Oc2c1)c3ccccc3,0,,0,0,0,,0 | |
| 3255 C1COCCN1,0,0,0,0,0,0,0 | |
| 3256 CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2cc(C)on2,0,0,0,0,0,0,0 | |
| 3257 CC(C)COCNC(=O)C=C,0,0,0,0,0,0,0 | |
| 3258 COc1cc2CC(C)(O)C(C)Cc3cc4OCOc4c(OC)c3c2c(OC)c1OC,0,,0,0,0,,0 | |
| 3259 CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc3ccc(F)cc3)cc1,,1,0,0,0,0,1 | |
| 3260 NNC(=O)c1cccnc1,0,0,0,0,0,0,0 | |
| 3261 O=NN1CCN(CC1)N=O,0,0,0,0,0,0,0 | |
| 3262 Oc1ccccc1C(=O)Oc2ccccc2,0,0,0,0,0,0,0 | |
| 3263 CN1CCc2cccc3c2C1Cc4ccc(O)c(O)c34,,,0,,,,0 | |
| 3264 Clc1ccc2Sc3ccccc3N(C(=O)CCN4CCN5CCCC5C4)c2c1,,0,0,0,,0,0 | |
| 3265 N#Cc1ccncc1,0,0,0,0,0,0,0 | |
| 3266 CC(=O)OCCCCCCCCC=C,0,0,0,0,0,0,0 | |
| 3267 Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c2)C(=O)Nc7ccc(c8cc(cc(c78)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 3268 O=C1CCCCC1C2CCCCC2,0,0,0,0,0,0,0 | |
| 3269 OC(=O)c1cc(O)c(O)c(O)c1,0,0,0,0,0,0,0 | |
| 3270 CC(=O)OO,0,,0,0,0,,0 | |
| 3271 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(OC(=O)c5occc5)C(=O)CCl,1,,1,1,1,,1 | |
| 3272 CN(C)C1CSSSC1,0,0,0,,0,0,0 | |
| 3273 CC(=O)c1sc(C)nc1C,0,0,0,0,0,0,0 | |
| 3274 COC1C(CCC2(CO2)C1C3(C)OC3CC=C(C)C)OC(=O)C=CC=CC=CC=CC(=O)O,0,,,,1,0,1 | |
| 3275 CC1CN(CCN1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4F,0,0,0,0,0,0,0 | |
| 3276 CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN4CCOCC4)c2c1,1,0,0,0,0,,1 | |
| 3277 CCN(CC)C(=O)C,0,0,0,0,0,0,0 | |
| 3278 CCCc1nn(C)c2c(O)nc(nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(C)CC4,0,0,0,0,0,0,0 | |
| 3279 CCOC(=O)CC(=O)c1cc(F)c(Cl)nc1Cl,0,0,0,0,0,,0 | |
| 3280 CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(=O)C,0,0,0,0,,,0 | |
| 3281 CC(Cc1ccccc1)NCc2ccccc2Cl,0,,0,0,0,0,0 | |
| 3282 Oc1c(Cl)ccc(Cl)c1Cl,0,1,0,0,0,,1 | |
| 3283 Cc1cccc2nccnc12,0,0,0,,0,0,0 | |
| 3284 O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c4ccccc4,0,,0,0,0,,0 | |
| 3285 CCCCCCCC=O,0,0,0,0,0,0,0 | |
| 3286 CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl,0,1,,0,,0,1 | |
| 3287 CNCc1cc(F)ccc1Oc2ccc(Cl)c(Cl)c2,,1,0,,,0,1 | |
| 3288 CC(=O)OC1CC2CCC1(C)C2(C)C,0,0,0,0,0,0,0 | |
| 3289 Nc1ncnc(Nc2ccc(Cl)cc2)n1,1,1,0,1,0,,1 | |
| 3290 CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1,1,1,1,,,0,1 | |
| 3291 CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,,1,,,,1,1 | |
| 3292 CCCC(=O)C(=O)O,0,0,0,0,0,0,0 | |
| 3293 CCC(C)N1C(=O)NC(=C(Br)C1=O)C,0,0,0,0,0,0,0 | |
| 3294 CCCc1c2OC(=CC(=O)c2cc3C(=O)C=C(N(CC)c13)C(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 3295 NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O,0,0,0,0,0,0,0 | |
| 3296 BrCC=CCBr,0,0,0,0,0,0,0 | |
| 3297 C1CCC2(CCCCO2)OC1,0,0,0,0,0,0,0 | |
| 3298 CCCCCCCCCCCCCCBr,0,0,0,0,0,0,0 | |
| 3299 [O-][N+](=O)c1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 3300 CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)C=CC=C(C)C=CC2C(=CC(O)CC2(C)C)C,,,1,0,,,1 | |
| 3301 OCC#CCO,0,0,0,0,0,0,0 | |
| 3302 Clc1cc(Cl)c(cc1Cl)c2cc(Cl)c(Cl)cc2Cl,0,0,0,0,,0,0 | |
| 3303 CC(=O)NCCCS(=O)(=O)O,0,0,0,0,0,0,0 | |
| 3304 Cc1cccc(c1C(=O)O)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 3305 CN1C(=C(O)c2sccc2S1(=O)=O)C(=O)Nc3ccccn3,0,0,0,0,0,0,0 | |
| 3306 Cc1ccccc1S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 3307 CCCCOCC1CO1,0,0,0,0,0,0,0 | |
| 3308 Cc1cc(ccc1[N+](=O)[O-])C(=O)O,0,,0,0,0,0,0 | |
| 3309 CCCCC1CCC(=O)O1,0,0,0,0,0,0,0 | |
| 3310 COC(=O)C1(C)CCCC2(C)C3CCC(=CC3=CCC12)C(C)C,0,,,0,,0,0 | |
| 3311 CC(=O)c1ccc2CCCCc2c1,0,,0,,0,0,0 | |
| 3312 CCN(CC)c1c(cc(c(N)c1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],,1,0,,,0,1 | |
| 3313 CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,,1,,,,,1 | |
| 3314 CC(C)COC=C,0,0,0,0,0,0,0 | |
| 3315 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,,0,0,0,0,0 | |
| 3316 [O-][N+](=O)c1cc(Cl)c(Cl)c(Cl)c1Cl,1,1,1,,,0,1 | |
| 3317 CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(c1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 3318 OC(=O)CNC(=O)CNC(=O)CNC(=O)CSC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 3319 CN(C)C(=S)SSC(=S)N(C)C,,1,1,,1,,1 | |
| 3320 COc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1,0,,,0,,,0 | |
| 3321 NC(=S)C(=S)N,0,,0,0,0,0,0 | |
| 3322 Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,0,0,0,0,0,0,0 | |
| 3323 Cc1ccc(N)cc1[N+](=O)[O-],0,,0,0,0,,0 | |
| 3324 CCC(=O)OC1CC2CCC1(C)C2(C)C,0,0,0,0,0,0,0 | |
| 3325 CC(C)C1CCC(C)CC1O,0,0,0,0,0,0,0 | |
| 3326 CCC(C)O,0,0,0,0,,0,0 | |
| 3327 CN(Cc1ccc2nc(C)nc(O)c2c1)c3ccc(s3)C(=O)NC(CCC(=O)O)C(=O)O,0,,0,0,1,,1 | |
| 3328 ClCC(=O)C(Cl)Cl,1,1,,,,1,1 | |
| 3329 CC1CCC23CCC(=O)C2C1(C)C(CC(C)(C=C)C(O)C3C)OC(=O)CO,0,,0,0,0,,0 | |
| 3330 CC(=Cc1ccccc1)C=C2SC(=S)N(CC(=O)O)C2=O,,,1,,,,1 | |
| 3331 CC(OC1OCCN(CC2=NC(=O)N=N2)C1C3CCC(F)CC3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F,,1,,,,,1 | |
| 3332 BrCCCCCBr,0,0,0,0,0,0,0 | |
| 3333 CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC,0,0,0,0,0,0,0 | |
| 3334 CCCCCCCCCCCC,0,,0,0,0,0,0 | |
| 3335 CCCCCCC(=O)O,0,0,0,0,0,0,0 | |
| 3336 CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC,0,0,,0,0,0,0 | |
| 3337 C1c2ccccc2c3ccccc13,0,0,0,0,,0,0 | |
| 3338 COc1ccc(C=O)cc1OC,0,0,0,0,0,0,0 | |
| 3339 ClC=CC[N+]12CN3CN(CN(C3)C1)C2,0,0,1,,1,,1 | |
| 3340 OC1=C(O)C(=O)C1=O,0,0,0,0,0,0,0 | |
| 3341 COc1ccc(O)cc1,0,0,0,0,0,,0 | |
| 3342 OS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 3343 CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC,0,0,0,0,0,,0 | |
| 3344 COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c3cc(Cl)c(N)cc3OC,0,1,0,0,,0,1 | |
| 3345 Nc1cccc(c1)S(=O)(=O)O,0,,,0,0,0,0 | |
| 3346 CCOC(=O)OCC,0,0,0,0,0,0,0 | |
| 3347 OC(C(=O)c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 3348 CC(C)OC(=O)c1ccccc1C(=O)OC(C)C,0,0,0,0,0,0,0 | |
| 3349 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)Cn3cc[n+]4ncccc34)c5nsc(N)n5,0,0,0,0,0,0,0 | |
| 3350 COC(=O)CSc1cc(N=C2SC(=O)N3CCCCN23)c(F)cc1Cl,0,0,0,0,0,0,0 | |
| 3351 CNC(=O)ON=CC(C)(C)S(=O)(=O)C,0,0,0,0,0,0,0 | |
| 3352 CC(N)C(O)c1cccc(O)c1,0,0,0,0,0,0,0 | |
| 3353 CC(=C)C(=O)OCCOP(=O)(O)OCCOC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 3354 CCCCCCCCC1CO1,0,0,0,0,0,0,0 | |
| 3355 O=C1CCO1,,,0,0,0,,0 | |
| 3356 OC(=O)c1ccccc1[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 3357 C1CN=C(N1)c2ccc3ccccc3c2,0,,0,0,,,0 | |
| 3358 CC(=O)OC(CC(=O)O)C[N+](C)(C)C,0,0,0,0,0,0,0 | |
| 3359 C(NCc1ccccc1)c2ccccc2,0,0,0,,0,0,0 | |
| 3360 CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccccc2,0,0,0,0,0,0,0 | |
| 3361 NCCCC(N)CC(=O)NC1CNC(=O)C(NC(=O)C(=CNC(=O)N)NC(=O)C(CO)NC(=O)C(CO)NC1=O)C2CC(O)N=C(N)N2,0,,0,0,0,,0 | |
| 3362 CC(=O)OC1CCC2C3CCC4(C)C(CCC4(OC(=O)C)C#C)C3CCC2=C1,1,1,1,,,0,1 | |
| 3363 Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1,1,1,,1,,0,1 | |
| 3364 CC1CC(=O)C=C2CCC(CC12C)C(=C)C,0,0,0,1,0,,1 | |
| 3365 CN1CCC(CC1)N(Cc2cccs2)c3ccccc3,0,0,0,0,,0,0 | |
| 3366 O=C(OOC(=O)c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 3367 Cc1ccnc2ccccc12,0,0,0,0,0,0,0 | |
| 3368 COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,0,0,0,0,,0,0 | |
| 3369 COc1cc2c(oc3ccccc23)cc1N,,1,,,0,0,1 | |
| 3370 CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12,,0,0,1,,0,1 | |
| 3371 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O,,1,,,,,1 | |
| 3372 OCC1CCC(CO)CC1,0,0,0,0,0,0,0 | |
| 3373 CC1=C(C=O)C(C)(C)CCC1,0,0,0,0,0,0,0 | |
| 3374 CCCCC(CC)COC(=O)C=C,0,0,0,0,0,0,0 | |
| 3375 CCNc1nc(NC(C)C)nc(SC)n1,0,0,0,0,0,0,0 | |
| 3376 CC(=O)OC1C2OC(=O)C(OC(=O)C)C2OC1=O,0,0,,0,0,0,0 | |
| 3377 CC=C1CC2CC1C=C2,0,0,0,0,0,0,0 | |
| 3378 Cc1cccc(c1C)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 3379 COc1ccc(cc1OC)C(=CC(=O)N2CCOCC2)c3ccc(Cl)cc3,1,,0,0,0,0,1 | |
| 3380 NS(=O)(=O)Cc1noc2ccccc12,0,0,0,0,0,0,0 | |
| 3381 CCC1(C(=O)NCNC1=O)c2ccccc2,0,0,0,0,0,0,0 | |
| 3382 CC(=O)NCCCCCC(=O)O,0,0,0,0,0,0,0 | |
| 3383 N#CCCCC(CCC#N)C#N,0,0,0,0,0,0,0 | |
| 3384 CC(=O)OCC1OC(OC2(COC(=O)C)OC(COC(=O)C)C(OC(=O)C)C2OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C,0,0,0,0,0,0,0 | |
| 3385 CCCC(=O)OCCC(C)CCC=C(C)C,0,0,0,0,0,0,0 | |
| 3386 Oc1ccc2C(=O)c3ccccc3C(=O)c2c1,1,1,,1,0,0,1 | |
| 3387 Cc1ccc2C(=O)OC(=O)c2c1,0,0,0,0,0,0,0 | |
| 3388 CC(C)CC(N)C(=O)O,,0,0,0,0,0,0 | |
| 3389 NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,1,1,,1,,,1 | |
| 3390 CC(CN1CCOCC1)C(C(=O)N2CCCC2)(c3ccccc3)c4ccccc4,,0,0,0,,0,0 | |
| 3391 Nc1on[n+](c1)N2CCOCC2,0,0,0,0,,0,0 | |
| 3392 [O-][N+](=O)OCCNC(=O)c1cccnc1,0,0,0,0,,0,0 | |
| 3393 CCCCCCCCCCCCCCCC[n+]1ccccc1,1,1,,1,1,1,1 | |
| 3394 CC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)C(O)C(O)C1NC4C=C(CO)C(O)C(O)C4O,0,1,,0,0,0,1 | |
| 3395 COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccs3,1,,1,1,,1,1 | |
| 3396 ICCc1ccccc1,,,,,0,0,0 | |
| 3397 CCCCCCCCCCCCCN1CC(C)OC(C)C1,0,0,0,0,0,0,0 | |
| 3398 COC1=CC(=O)CC(C)C12Oc3c(Cl)c(OC)cc(OC)c3C2=O,1,1,1,1,,1,1 | |
| 3399 Fc1cccc(Cn2c(cc3cc(F)ccc23)C(=O)Nc4ccc5[nH]ccc5c4)c1,1,,,,,1,1 | |
| 3400 CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O,0,,0,0,,,0 | |
| 3401 NC(=O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 3402 OP(=O)(O)CN1C(=O)C(=O)Nc2cc(c(cc12)N3CCOCC3)C(F)(F)F,0,0,0,0,0,0,0 | |
| 3403 CCN(CC)c1ccc(cc1)N=Nc2ccccc2,,1,,,,,1 | |
| 3404 CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,,,1,0,0,1 | |
| 3405 CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,,,,1,,1,1 | |
| 3406 Brc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1,,1,0,1,,0,1 | |
| 3407 CC(=CCCC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C)C,0,0,0,0,,0,0 | |
| 3408 Cc1ccccc1N=C(N)N=C(N)N,,0,0,0,0,0,0 | |
| 3409 CCCC(=O)O,0,0,0,0,0,0,0 | |
| 3410 CC(C)C(N)C(=O)O,0,,0,0,0,,0 | |
| 3411 CC(CC1=CC(=CC(=O)N1O)C)CC(C)(C)C,1,1,1,,,,1 | |
| 3412 Oc1ccc2ccc3cccc4ccc1c2c34,,,,1,,,1 | |
| 3413 CC(=CCCC(=CCCC(=CCCC(=O)OCC=C(C)CCC=C(C)C)C)C)C,0,0,0,0,0,0,0 | |
| 3414 COc1ccc(OC)c(c1)C(O)C(C)N,,,0,0,1,,1 | |
| 3415 Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O,0,0,0,0,,,0 | |
| 3416 COc1ccc(CNCC(O)COc2ccc3nc(O)ccc3c2)cc1OC,0,,0,0,0,,0 | |
| 3417 OC(=O)c1c(O)c(nc2ccccc12)c3ccccc3,,,,,,1,1 | |
| 3418 CCC(=CC(=NO)C(=O)N)C(C)[N+](=O)[O-],0,,0,0,0,0,0 | |
| 3419 CC(=O)O,0,0,0,0,0,0,0 | |
| 3420 Fc1cccc(Cl)c1CCl,0,,0,0,0,0,0 | |
| 3421 CC(O)CN(C)C,0,,0,0,0,,0 | |
| 3422 CC(O)C1C2C(C)C(=C(N2C1=O)C(=O)O)SC3C[n+]4cncn4C3,1,,0,0,0,,1 | |
| 3423 OC(=O)CCc1nc2ccccc2[nH]1,0,0,0,0,0,0,0 | |
| 3424 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl,1,1,,1,,,1 | |
| 3425 OC(C(Cc1ccccc1)NC(=O)c2cc3cc(Cl)ccc3[nH]2)C(=O)N4CC(O)C(O)C4,1,,,0,,,1 | |
| 3426 Clc1ccc(Nc2nnc(Cc3ccncc3)c4ccccc24)cc1,,1,0,1,1,1,1 | |
| 3427 CCCCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C,1,1,1,0,,,1 | |
| 3428 CCSC(=O)N(CC(C)C)CC(C)C,0,0,0,0,0,0,0 | |
| 3429 BrCC1CO1,0,0,0,0,0,0,0 | |
| 3430 CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-],1,,,,,1,1 | |
| 3431 CCC1(Cc2ccccc2C1)c3c[nH]cn3,,0,0,0,0,0,0 | |
| 3432 CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc2ccccc2,,0,0,0,,0,0 | |
| 3433 COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC,1,,0,1,,,1 | |
| 3434 Oc1ccc2Cc3ccccc3c2c1,,1,1,0,,,1 | |
| 3435 C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3,0,0,0,0,0,,0 | |
| 3436 CCCCCCCCS,,,,,,0,0 | |
| 3437 COc1cc(CC=C)cc2OCOc12,0,0,0,0,,0,0 | |
| 3438 CC(=CCCC(=CC=NO)C)C,0,0,,0,0,0,0 | |
| 3439 CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C,0,,1,0,,,1 | |
| 3440 Nc1cccnc1,0,0,0,0,0,0,0 | |
| 3441 CC1=CCCC2(C)OC2C3OC(=O)C(=C)C3CC1,1,,,,,,1 | |
| 3442 CC(C)OP(=O)(F)OC(C)C,0,,0,0,0,,0 | |
| 3443 OC(=O)C1=C(C[n+]2ccccc2)CSC3C(NC(=O)Cc4cccs4)C(=O)N13,0,,0,0,0,,0 | |
| 3444 Cc1c(cccc1N=C=O)N=C=O,0,0,0,0,0,0,0 | |
| 3445 NC#N,0,,,,,,0 | |
| 3446 Nc1c(Br)cc(Br)cc1CNC2CCC(O)CC2,1,,,0,,,1 | |
| 3447 COc1ccc(COC=O)cc1,0,0,0,0,0,0,0 | |
| 3448 CC(C(=O)O)c1ccc2Oc3ncccc3Cc2c1,,0,0,0,0,,0 | |
| 3449 COc1ccccc1N2CCN(CCCC(=O)c3ccc(F)cc3)CC2,0,,0,0,0,,0 | |
| 3450 COc1cc(C)c(Cc2cnc(N)nc2N)cc1OC,0,0,0,0,0,0,0 | |
| 3451 CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3,,1,0,0,0,0,1 | |
| 3452 BrCC(=O)c1ccccc1,0,0,,0,0,0,0 | |
| 3453 CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3c(O)c(cc4cc(ccc34)S(=O)(=O)O)S(=O)(=O)O,,,0,,,,0 | |
| 3454 OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2,1,,0,,0,0,1 | |
| 3455 CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1,,1,0,1,,0,1 | |
| 3456 CCCCCCCCN1SC=CC1=O,,,1,,,,1 | |
| 3457 CC1=C(CC=O)C(C)(C)CCC1,0,,0,0,0,,0 | |
| 3458 ClCC(Cl)C=C,,0,0,0,0,0,0 | |
| 3459 ClCc1cccnc1,0,0,0,0,0,0,0 | |
| 3460 CC(=O)OCCCc1ccccc1,0,0,0,0,0,0,0 | |
| 3461 CC1CCC(=O)C1=O,0,,0,0,0,0,0 | |
| 3462 COC(=C1C(C(=C(C)N=C1C)C(=O)OC(C)C)c2cccc3nonc23)O,0,0,,0,1,0,1 | |
| 3463 OC1=C(O)C(=O)C(=C(O)C1=O)O,0,0,0,0,0,0,0 | |
| 3464 COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O,0,0,,0,0,0,0 | |
| 3465 NS(=O)(=O)O,0,0,0,0,0,0,0 | |
| 3466 CCOC(=C1C(C(=C(C)N=C1C)C(=O)OC)c2cccc(Cl)c2Cl)O,,1,1,,,0,1 | |
| 3467 CCCC(C)(COC(=O)N)COC(=O)N,0,0,0,0,0,0,0 | |
| 3468 CC(=O)OC1CN2CCC1CC2,0,,0,0,0,,0 | |
| 3469 CCC(C)c1cccc(C(C)CC)c1O,,0,0,,,0,0 | |
| 3470 COc1c(N2CC3CCCNC3C2)c(F)cc4C(=O)C(=CN(C5CC5)c14)C(=O)O,0,0,0,0,0,0,0 | |
| 3471 CC1OCCC1=O,0,0,0,0,0,0,0 | |
| 3472 CCCCCCCCCC(CC)c1ccc(cc1)S(=O)(=O)O,0,0,0,0,1,,1 | |
| 3473 COc1cc2c(CCNC23CSC4C5C6N(C)C(Cc7cc(C)c(OC)c(O)c67)C(O)N5C(COC3=O)c8c9OCOc9c(C)c(OC(=O)C)c48)cc1O,1,1,1,,,1,1 | |
| 3474 c1ccc2c(c1)[nH]c3cnccc23,0,,0,0,,0,0 | |
| 3475 CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2,,0,0,0,,,0 | |
| 3476 CC1(C)C2CCC(=C)C1C2,0,0,0,0,0,0,0 | |
| 3477 CN1CCCC(CC2c3ccccc3Sc4ccccc24)C1,0,,0,0,,,0 | |
| 3478 COC(=O)NN,,0,0,0,0,0,0 | |
| 3479 CCC(C)(CCC(C)C)C(=O)OC=C,0,0,0,0,0,0,0 | |
| 3480 CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC,1,1,,,,,1 | |
| 3481 Clc1ccc2Oc3ccccc3N=C(N4CCNCC4)c2c1,0,1,,,,0,1 | |
| 3482 CC(=O)OCCC1CCCCC1,0,0,0,0,0,0,0 | |
| 3483 COc1cc2CCC(=O)c2cc1OC,,1,,,,,1 | |
| 3484 CN=C(N)NCCCC(N)C(=O)O,0,,0,0,0,,0 | |
| 3485 NCCCC(N)(C(F)F)C(=O)O,0,0,0,0,0,0,0 | |
| 3486 CCCCCl,0,0,0,0,0,0,0 | |
| 3487 NNS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)NN)cc1,0,0,0,0,0,0,0 | |
| 3488 OC(=O)C1=CN(C2CC2)c3cc(N4CCNCC4)c(F)cc3C1=O,0,0,0,0,0,0,0 | |
| 3489 CC1CC2=C(CCC(=O)C2)C3CCC4(C)C(CCC4(O)C#C)C13,1,1,1,0,,0,1 | |
| 3490 CNNCc1ccc(cc1)C(=O)NC(C)C,0,0,0,0,0,0,0 | |
| 3491 OCCN1CC(O)C(O)C(O)C1CO,0,0,0,0,0,0,0 | |
| 3492 OCCCCC(O)CO,0,0,0,1,,0,1 | |
| 3493 CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3,,,0,0,0,,0 | |
| 3494 COc1ccc(cc1N)[N+](=O)[O-],0,0,0,,0,0,0 | |
| 3495 CCC(=O)C(=O)CC,,0,0,0,,0,0 | |
| 3496 CN(C)c1nc(nc(n1)N(C)C)N(C)C,0,0,0,0,0,0,0 | |
| 3497 CC(C)C1(C)N=C(NC1=O)c2nc3ccccc3cc2C(=O)O,0,0,0,0,0,0,0 | |
| 3498 COc1cc(N)ccc1C,,0,0,0,0,1,1 | |
| 3499 Fc1c(F)c(F)c(Br)c(F)c1F,0,0,0,0,0,0,0 | |
| 3500 FC(F)(F)c1cccc(C(=O)NC(C2CCCCN2)c3ccccc3)c1Cl,,1,,,,,1 | |
| 3501 CCN(CC)C(=O)C(C)Oc1cccc2ccccc12,1,1,0,1,,0,1 | |
| 3502 OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1,,1,1,1,1,1,1 | |
| 3503 CN1CCCCC1CCN2c3ccccc3Sc4ccc(cc24)S(=O)C,0,0,0,0,0,0,0 | |
| 3504 CCN(CC)CCNC(=O)C1C(=NC(=C1C)C=C2C(=O)Nc3ccc(F)cc23)C,1,1,,,,,1 | |
| 3505 OCCN1CCN(CCC(=O)N2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,,0,,0,,0,0 | |
| 3506 OS(=O)(=O)c1cccc(c1)[N+](=O)[O-],0,,0,0,0,0,0 | |
| 3507 Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl,0,0,0,0,0,0,0 | |
| 3508 CN(C)CCCCCCN(C)C,0,0,0,0,0,0,0 | |
| 3509 C1CN(CCO1)p2(np(np(n2)(N3CC3)N4CC4)(N5CC5)N6CC6)N7CC7,0,,0,0,0,,0 | |
| 3510 Oc1ccc(Nc2ccccc2)cc1,,1,0,0,,1,1 | |
| 3511 Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl,1,1,,,1,,1 | |
| 3512 CC1(C)SC(C)(C)SC(C)(C)S1,0,0,0,0,0,0,0 | |
| 3513 ClC(=O)c1cccc(c1)C(=O)Cl,0,0,0,0,0,0,0 | |
| 3514 COP(OC)OC,0,0,0,0,0,0,0 | |
| 3515 CC=CCC=C,0,0,0,0,0,0,0 | |
| 3516 NCCc1cc(O)c(O)cc1O,0,0,0,0,,0,0 | |
| 3517 COc1ccc(C=O)cc1O,0,0,0,,0,0,0 | |
| 3518 O=C1NOC2=C1CCNC2,0,,0,0,0,0,0 | |
| 3519 Cc1nc(C)c(Cl)c(O)c1Cl,0,0,0,0,0,0,0 | |
| 3520 CCCC=C,0,0,0,0,0,0,0 | |
| 3521 CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14,1,1,1,1,1,,1 | |
| 3522 CCN1C=C(C(=O)O)C(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12,0,0,0,0,0,0,0 | |
| 3523 OCC(CO)(CBr)CBr,0,0,0,0,0,0,0 | |
| 3524 NC1=NC(=O)N(N=C1)C2OC(CO)C(O)C2O,,,,0,0,,0 | |
| 3525 NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(=N)N,0,0,0,0,0,,0 | |
| 3526 OC(=O)c1cc(O)nc(O)n1,0,0,0,0,0,0,0 | |
| 3527 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)C[n+]3cccc4CCCc34)c5csc(N)n5,,,,,0,,0 | |
| 3528 [O-][N+](=O)c1ccc(C=O)cc1,1,,0,1,0,0,1 | |
| 3529 CCc1ccc(Br)cc1,0,0,0,0,0,0,0 | |
| 3530 C=CC1CCC=CC1,0,0,0,0,0,0,0 | |
| 3531 C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3,,1,,,,,1 | |
| 3532 CCOC(=O)C1=NN(C(=O)C1)c2ccccc2,,,1,0,,1,1 | |
| 3533 CCc1ccc(cc1)C(C(Cl)Cl)c2ccc(CC)cc2,1,0,1,0,,0,1 | |
| 3534 CCC1(CC)C(=O)NC=CC1=O,0,0,0,0,0,0,0 | |
| 3535 CN(C)CCC=C1c2ccccc2C(C)(C)c3ccccc13,,,0,1,,,1 | |
| 3536 CCc1cc(ccn1)C(=S)N,0,0,0,0,0,0,0 | |
| 3537 Cc1ccc(cc1)C(C)(C)c2ccc(C)cc2,0,,0,0,0,,0 | |
| 3538 CCCCCCC1CCCC(=O)O1,,0,0,0,0,1,1 | |
| 3539 ClCc1ccccc1,0,0,0,0,0,0,0 | |
| 3540 CCC(C)COC(=O)CC(C)C,0,0,0,0,0,0,0 | |
| 3541 ClCC(=O)Cl,0,0,0,0,0,0,0 | |
| 3542 OCC1OC(OC2(CO)OC(O)C(O)C2O)C(O)C(O)C1O,0,,0,0,0,,0 | |
| 3543 CC1=CC(=O)N(O)C(=C1)C2CCCCC2,1,1,1,,,,1 | |
| 3544 COc1cc(ccc1c2nc3ccc[nH]c3n2)S(=O)C,0,,0,0,0,,0 | |
| 3545 Cc1c(N)cccc1N,0,,,0,0,0,0 | |
| 3546 CCCCCCCCCCOC(=O)C,0,0,0,0,0,0,0 | |
| 3547 CNCCC(Oc1ccccc1OC)c2ccccc2,0,0,0,0,,0,0 | |
| 3548 CN(C(=O)C)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,0,,0,0,0,,0 | |
| 3549 CCCC(C)C(O)CC,0,0,0,0,0,0,0 | |
| 3550 CCCCCCCCC=CCCCCCCCC(=O)OC,0,,0,0,0,0,0 | |
| 3551 CCCCN1CN(C)C=C1,0,0,0,0,0,0,0 | |
| 3552 CC(C)CCCCCCc1ccc(O)cc1,0,1,0,,,1,1 | |
| 3553 C(C1=NCCN1)c2ccccc2,0,0,0,0,0,0,0 | |
| 3554 BrCCBr,0,0,0,0,0,0,0 | |
| 3555 COc1cc(C)c(C=CC(=CC=CC(=CC(=O)O)C)C)c(C)c1C,,1,,1,1,,1 | |
| 3556 CN1CCc2cc(Cl)c(O)cc2C3C1CCc4ccccc34,1,,0,0,,0,1 | |
| 3557 OC1CC(O)(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)C(=O)O,0,0,0,0,0,0,0 | |
| 3558 CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCN=C(N)N,1,,,1,1,,1 | |
| 3559 OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23,0,0,,0,0,0,0 | |
| 3560 CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12,0,0,0,0,0,0,0 | |
| 3561 O=S1(=O)OCCO1,0,0,0,0,0,0,0 | |
| 3562 CCOC(=O)c1cnc2cc(OCC(C)C)c(OCC(C)C)cc2c1O,0,,0,0,0,,0 | |
| 3563 NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,0,1,0,,0,0,1 | |
| 3564 COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(OC)C(C)O5)C(OC(=O)O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC6CC(OC7CC(OC8CC(C)(O)C(OC(=O)C)C(C)O8)C(O)C(C)O7)C(O)C(C)O6)C(=O)C(O)C(C)O,1,1,1,1,,1,1 | |
| 3565 CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c3ccccc3,0,,0,0,,,0 | |
| 3566 CCCCCCCCCC(=O)O,,0,0,0,0,1,1 | |
| 3567 CCC=CCCOC(=O)c1ccccc1O,,0,0,0,0,0,0 | |
| 3568 N(N=Nc1ccccc1)c2ccccc2,1,1,0,,0,,1 | |
| 3569 CC(C)(O)C#CC(C)(C)O,0,0,0,0,0,0,0 | |
| 3570 Oc1cc(cc2cc(cc(N=Nc3ccc(Nc4ccccc4)c5c(cccc35)S(=O)(=O)O)c12)S(=O)(=O)O)S(=O)(=O)O,,,0,,,,0 | |
| 3571 O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4,0,0,0,0,0,0,0 | |
| 3572 OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(=O)O)c1O,0,1,0,0,,,1 | |
| 3573 CCC(C)(C)C1CCCCC1OC(=O)C,0,0,0,0,0,0,0 | |
| 3574 OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1,,0,0,,,,0 | |
| 3575 OC(C1CCNCC1)(c2ccccc2)c3ccccc3,0,0,0,0,,0,0 | |
| 3576 OCC(COCC=C)(COCC=C)COCC=C,0,0,0,0,0,0,0 | |
| 3577 COc1cc(cc(OC)c1OC)C(=O)NCc2ccc(OCCN(C)C)cc2,,1,0,1,0,0,1 | |
| 3578 CCN(CC)C(=O)c1cccnc1,0,,0,0,0,,0 | |
| 3579 NC(=O)C1(CCN(CCCN2c3ccccc3CCc4ccc(Cl)cc24)CC1)N5CCCCC5,,1,,,,,1 | |
| 3580 CCN1CCN(C(=O)NC(C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O,0,0,0,0,0,0,0 | |
| 3581 CCSc1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1,0,,0,0,0,,0 | |
| 3582 CCOP(=O)(OCC)OCC,0,0,0,0,0,0,0 | |
| 3583 CC(CCc1ccc(O)cc1)NCC(O)c2ccc(O)cc2,0,,0,0,,,0 | |
| 3584 CC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O,1,1,1,1,1,,1 | |
| 3585 CCC(C(=O)NC(=O)NC(=O)C)c1ccccc1,0,0,0,0,0,0,0 | |
| 3586 CC(OC(=O)C)OC(=O)C(C)c1ccc(c(F)c1)c2ccccc2,0,0,0,0,0,0,0 | |
| 3587 BrCC(Br)(Br)Br,0,1,,,,,1 | |
| 3588 Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1,0,0,0,0,0,0,0 | |
| 3589 Fc1ccc(Br)cc1,0,0,0,0,0,0,0 | |
| 3590 CN(C)C(=O)C(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 3591 CC1CCC2C(C)(C)C3CC12CC(=C3C)C(=O)C,0,0,0,0,,0,0 | |
| 3592 CCCCCCCCCCCC(=O)N(C)CC(=O)O,0,0,,0,0,,0 | |
| 3593 OCNC(=O)N(CO)C1N(CO)C(=O)N(CO)C1=O,0,0,0,0,0,0,0 | |
| 3594 Clc1cccc(Cl)c1NC2=NCCN2,0,0,0,0,0,0,0 | |
| 3595 Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)cc1,,1,0,,,0,1 | |
| 3596 CN1C(CCl)Nc2cc(Cl)c(cc2S1(=O)=O)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 3597 CN1CCC(CC1)OC(c2ccccc2)c3ccccc3,0,0,0,0,,0,0 | |
| 3598 CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1,0,,0,0,,,0 | |
| 3599 CNCC(O)C(O)C(O)C(O)CO,0,0,0,0,0,0,0 | |
| 3600 COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c2nc(C)nc(OC)n2,0,0,0,0,0,0,0 | |
| 3601 OC(=O)CCC(=O)O,0,0,0,0,0,0,0 | |
| 3602 C=CCOCC1CO1,0,0,0,0,0,0,0 | |
| 3603 Nc1cc(Cl)ccc1O,1,1,0,0,,,1 | |
| 3604 C1CCC(CC1)N=C=NC2CCCCC2,0,1,,1,,,1 | |
| 3605 Oc1ccc(Sc2ccc(O)cc2)cc1,1,1,0,0,,1,1 | |
| 3606 CC(=O)Nc1ccc(CC(=O)O)cc1,0,0,0,0,0,0,0 | |
| 3607 CC1OC(OC2C(O)C(OCCc3ccc(O)c(O)c3)OC(COC4OC(CO)C(O)C(O)C4O)C2OC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C1O,0,0,,0,0,0,0 | |
| 3608 CC(=O)Nc1ccc(OC(=O)C)cc1,0,,0,0,0,,0 | |
| 3609 CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)C#C,,0,0,0,0,0,0 | |
| 3610 Nc1c(I)cc(I)c(C(=O)N(CCC(=O)O)c2ccccc2)c1I,,,,,,1,1 | |
| 3611 CN(C)C1C2CC3C(=C(O)C2(O)C(=C(C(=O)N)C1=O)O)C(=O)c4c(O)cccc4C3(C)O,0,0,0,0,0,0,0 | |
| 3612 CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12,0,0,0,,,0,0 | |
| 3613 CC(C)Oc1ccccc1O,0,0,0,0,0,0,0 | |
| 3614 CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,0,0,0,0,0,0,0 | |
| 3615 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,0,,0,0,0,,0 | |
| 3616 Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)C(=O)c3ccc(F)cc3,0,,0,0,,,0 | |
| 3617 CCCC(CC)CCCCCCCN,0,0,0,0,0,0,0 | |
| 3618 O=C1CCCCCCCCCCOCCCCO1,0,0,0,1,,0,1 | |
| 3619 Oc1ccccc1C=O,0,0,0,0,0,0,0 | |
| 3620 C#CCNC1CCc2ccccc12,0,0,0,0,0,0,0 | |
| 3621 Nc1nc2ccccc2[nH]1,0,0,0,0,0,0,0 | |
| 3622 CCCCOC(=O)C,0,0,0,0,0,0,0 | |
| 3623 NC(=O)c1cnccn1,0,0,0,0,0,0,0 | |
| 3624 NC1=NC(=O)N(C=N1)C2CC(O)C(CO)O2,0,,0,,1,0,1 | |
| 3625 CCCCCc1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 3626 CCC(=O)C=CC1C(=CCCC1(C)C)C,0,0,0,0,0,0,0 | |
| 3627 CC=C(Cl)Cl,0,,0,0,0,0,0 | |
| 3628 CC(C)CCCC(C)CCCC(C)CCCC(=CCC1=C(C)C(=O)c2ccccc2C1=O)C,0,0,0,0,0,0,0 | |
| 3629 Nc1ccccc1Nc2ccccc2,1,1,1,,,1,1 | |
| 3630 CN1C(=S)CN=C(c2ccccc2)c3cc(Cl)ccc13,1,1,1,1,,0,1 | |
| 3631 CC(C)OCCO,,0,0,0,0,0,0 | |
| 3632 CCCCOC(=O)C(C)CC,0,0,,0,0,0,0 | |
| 3633 Nc1nc(N)c2nc(CC(CC#C)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1,,,0,0,1,,1 | |
| 3634 CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2,0,0,0,0,,0,0 | |
| 3635 CC(C)N=C1C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5,0,,,0,,,0 | |
| 3636 CCCSC(=O)Cl,0,0,0,0,0,0,0 | |
| 3637 CC(C)OC(=C1C(C(=C(N)N=C1C)C(=O)OC2CN(C2)C(c3ccccc3)c4ccccc4)c5cccc(c5)[N+](=O)[O-])O,1,1,,,,,1 | |
| 3638 OS(=O)(=O)F,0,0,0,0,0,0,0 | |
| 3639 Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3,0,0,0,0,0,0,0 | |
| 3640 CC1=C(Cl)C(=O)Oc2cc(O)ccc12,,1,,,,,1 | |
| 3641 OC1CCCCC1c2ccccc2,,0,0,0,0,0,0 | |
| 3642 OC(=O)c1cc(cc(c1)S(=O)(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 3643 CC1=Nc2ccccc2C(=O)N1c3ccccc3C,0,,0,0,0,,0 | |
| 3644 CC(C)(N)CO,0,0,0,0,0,0,0 | |
| 3645 NCC(O)c1ccc(O)c(O)c1,0,0,0,0,,0,0 | |
| 3646 CC=CC=CCCCCCCCO,1,0,1,0,,,1 | |
| 3647 CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3,0,0,,0,,,0 | |
| 3648 CC(C)N(C(C)C)c1ccccc1,0,0,0,0,0,0,0 | |
| 3649 ClCC(=O)c1ccc(Oc2ccc(cc2)C(=O)CCl)cc1,0,,0,0,,,0 | |
| 3650 COC(=O)C=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(=O)O,0,,0,1,0,0,1 | |
| 3651 CCCCn1cc[n+](C)c1,0,0,0,0,0,0,0 | |
| 3652 CC12CCC3C(CCC4=CCCCC34)C1CCC2(O)CC=C,1,1,1,0,,,1 | |
| 3653 CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2,0,0,0,0,,,0 | |
| 3654 OCC(CO)n1cnc(c2ccc(F)cc2)c1c3ccnc(Oc4ccccc4)n3,1,0,,,0,0,1 | |
| 3655 Cn1c(N)nc2c3cccnc3ccc12,,0,0,,0,,0 | |
| 3656 Cc1oc(C)cc1,0,0,0,0,,0,0 | |
| 3657 CCCNC(C)C(=O)Nc1ccccc1C,0,0,0,0,0,0,0 | |
| 3658 CC(=O)CCc1ccccc1,0,0,0,0,0,0,0 | |
| 3659 CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)C)cc1,0,,0,0,0,,0 | |
| 3660 C1CN2CCN1CC2,0,0,0,0,0,0,0 | |
| 3661 Cc1onc(c1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NN3CCCCCC3,0,,0,0,0,,0 | |
| 3662 CC(=O)OCCOCCOCCOC(=O)C,0,0,0,0,0,0,0 | |
| 3663 OCC(F)(F)F,0,0,0,0,0,0,0 | |
| 3664 CCC(Br)(CC)C(=O)NC(=O)N,0,0,0,0,0,0,0 | |
| 3665 Oc1ccccc1C(=O)OCc2ccccc2,0,,0,0,0,0,0 | |
| 3666 Cc1ccc(N)cc1C,0,0,0,0,0,0,0 | |
| 3667 CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,1,,0,1,,1 | |
| 3668 Oc1ccc2cc(ccc2c1N=Nc3ccc(cc3)S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 3669 CC(C)CC1NC(=S)N(CC=C)C1=O,0,,0,0,0,,0 | |
| 3670 CC(Cl)(Cl)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 3671 CCNc1nc(NC(C)C(C)C)nc(SC)n1,0,0,0,0,0,0,0 | |
| 3672 C1CCc2c(C1)cccc2NC3=NCCN3,0,,0,0,,,0 | |
| 3673 CN1C(=O)C(=C(N=C1C(C)(C)NC(=O)c2oc(C)nn2)C(=O)NCc3ccc(F)cc3)O,0,0,0,0,0,,0 | |
| 3674 CCOc1ccc2NC(C)(C)C=C(C)c2c1,,,0,0,0,1,1 | |
| 3675 CC1CCC(C(O)C1)C(=C)C,0,0,0,0,0,0,0 | |
| 3676 NC(=O)CF,0,0,0,0,0,0,0 | |
| 3677 Clc1ccc(Cl)c(Cl)c1Cl,0,0,0,0,0,0,0 | |
| 3678 CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(=O)O)C2CC1,,,0,0,0,1,1 | |
| 3679 COC(=O)Nc1ccc(Cl)c(Cl)c1,1,,,0,,,1 | |
| 3680 COP(=S)(OC)SCN1N=Nc2ccccc2C1=O,,1,1,1,1,,1 | |
| 3681 OC(=O)c1cc(O)c2C3=Nc4ccccc4OC3=CC(=O)c2n1,0,,,0,0,,0 | |
| 3682 COC12CCC3(CC1C(C)(O)C(C)(C)C)C4Cc5ccc(O)c6OC2C3(CCN4CC7CC7)c56,,1,,,,,1 | |
| 3683 OC(=O)c1ccccc1O,0,0,0,0,0,0,0 | |
| 3684 CCN1CCOCC1,0,0,0,0,0,0,0 | |
| 3685 CC(C)C1=C(C)N(C)N(C1=O)c2ccccc2,0,0,0,0,0,0,0 | |
| 3686 CCCCCCCCS(=O)(=O)Cl,0,0,0,0,0,,0 | |
| 3687 OCN1C(=O)CCC1=O,0,,0,0,0,,0 | |
| 3688 NC(=O)C(Br)(Br)C#N,,,0,,,0,0 | |
| 3689 CN(C)CCOC(c1ccccc1)c2ccccc2,0,0,0,0,,0,0 | |
| 3690 CCCCCCCC(=O)OC,0,0,0,0,0,0,0 | |
| 3691 CC(C)CC(C)(O)C#C,,0,,0,0,0,0 | |
| 3692 ClCC(Cl)Cl,0,0,0,0,0,0,0 | |
| 3693 C[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 3694 CN(C)CCOc1ccccc1Cc2ccccc2,0,0,0,0,,0,0 | |
| 3695 CC(C(=O)OCC(=O)N(C)C)c1ccc2Oc3nc(C)ccc3Cc2c1,1,,0,1,0,0,1 | |
| 3696 CC(C)n1c(C=CC(O)CC(O)CC(=O)O)c(c2ccc(F)cc2)c3ccccc13,1,,1,1,1,1,1 | |
| 3697 CCC(=O)Oc1ccc(cc1)C(=C(CC)c2ccc(OC(=O)CC)cc2)CC,0,1,1,,,1,1 | |
| 3698 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSC(=O)c3occc3)c4csc(N)n4,0,,0,0,0,,0 | |
| 3699 O=C1C(=O)c2ncccc2c3cccnc13,1,1,,1,1,,1 | |
| 3700 CCC(C)CCCC(C)(C)O,0,0,0,0,0,,0 | |
| 3701 CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C,0,0,0,0,0,0,0 | |
| 3702 Cc1ccc2NCCCc2c1,0,,0,0,0,0,0 | |
| 3703 CC1CC(CC(C)(C)C1)OC(=O)c2ccccc2O,0,0,0,0,,0,0 | |
| 3704 Oc1ccc(Cl)cc1C2CCCC2,0,,0,1,,0,1 | |
| 3705 c1ccncc1,0,0,0,0,0,0,0 | |
| 3706 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)CCC(=O)OCCO)c(C)c(C)c2O1,1,1,,0,,,1 | |
| 3707 CCOC(=O)N1C=CN(C)C1=S,0,0,0,0,0,0,0 | |
| 3708 CN1C(=O)N(C)c2ncn(CCOC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2C1=O,1,1,0,0,0,,1 | |
| 3709 Cc1oc(cc1)C(=O)O,0,0,0,0,0,0,0 | |
| 3710 CC(C)(O)c1ccc(cc1)C(C)(C)O,0,0,0,0,,0,0 | |
| 3711 Cc1cc(cc(C)c1N)c2cc(C)c(N)c(C)c2,,0,,0,0,0,0 | |
| 3712 O=C1CC(=O)NC(=O)N1,0,0,0,0,0,0,0 | |
| 3713 COC(C)(C)C,0,,0,0,0,0,0 | |
| 3714 CCCC[N+]1(C)CCCC1,0,0,0,0,0,0,0 | |
| 3715 COCCC#N,0,0,0,0,0,0,0 | |
| 3716 BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr,1,1,1,,,1,1 | |
| 3717 CC(C)c1cc(c(C)cc1OI)c2cc(C(C)C)c(OI)cc2C,0,0,0,0,,0,0 | |
| 3718 CCC(O)OCCCOC,0,0,0,0,0,0,0 | |
| 3719 Nc1ccccc1Cl,,0,0,0,0,0,0 | |
| 3720 CCOP(=O)(OCC)OP(=O)(OCC)OCC,0,0,0,0,0,,0 | |
| 3721 Fc1ccccc1C2=NC(NC(=O)c3cc4ccccc4[nH]3)C(=O)N5CCc6cccc2c56,1,1,,0,1,0,1 | |
| 3722 Nc1ccc(Cl)cc1N,1,,0,,,0,1 | |
| 3723 ClC(=C)Cl,0,0,0,0,0,0,0 | |
| 3724 CC(CCO)CC(C)(C)C,0,0,0,0,0,0,0 | |
| 3725 CC(C[N+](C)(C)C)OC(=O)N,0,0,0,0,0,0,0 | |
| 3726 FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC2CCCCN2,0,0,0,0,,0,0 | |
| 3727 CN1CCN(CC1)C2=Nc3ccccc3Nc4sc(C)cc24,0,0,0,0,,0,0 | |
| 3728 CC(C)COP(=O)(OCC(C)C)OCC(C)C,0,0,0,,0,0,0 | |
| 3729 CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)C=C1,,,,1,,,1 | |
| 3730 CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7C(O)(C(O)C8(CC)C=CCN9CCC67C89)C(=O)N)C1,1,1,1,0,,,1 | |
| 3731 CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,0,0,0,0,0,0,0 | |
| 3732 Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCCCC2,0,0,0,0,0,,0 | |
| 3733 CC(C)NCC(O)COc1ccc(CC(=O)N)cc1,0,0,0,0,0,0,0 | |
| 3734 Cc1nc2ccccc2s1,0,0,0,0,0,0,0 | |
| 3735 CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7C(O)(C(OC(=O)C)C8(CC)C=CCN9CCC67C89)C(=O)OC)C1,1,1,1,,1,1,1 | |
| 3736 CNC(=O)NC(O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 3737 NC(C(O)c1ccc(O)c(O)c1)C(=O)O,0,0,0,0,,0,0 | |
| 3738 CC(C)c1cccc(c1)C(C)C,0,0,0,0,0,0,0 | |
| 3739 CCCOC(=O)CCCCC(=O)OCCC,0,0,0,0,0,0,0 | |
| 3740 Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5cc(ccc45)N=C=S)c1,,,,0,0,,0 | |
| 3741 Brc1ccccc1,0,0,0,0,0,0,0 | |
| 3742 CC(=O)C1(O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC12C,1,,1,,0,,1 | |
| 3743 OCCN1CCCC1=O,0,0,0,0,0,0,0 | |
| 3744 CCOc1cccc(N)c1,0,0,0,0,0,0,0 | |
| 3745 Nc1cc(Cl)ccc1Cl,0,0,0,0,0,0,0 | |
| 3746 C=COCC1CCC(COC=C)CC1,0,0,0,0,0,0,0 | |
| 3747 CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12,,0,0,1,1,,1 | |
| 3748 CCC(=O)OC1C(CC2C3CCC4CC(OC(=O)C)C(CC4(C)C3CCC12C)N5CCCCC5)N6CCCCC6,0,,0,0,0,,0 | |
| 3749 O=C1CCCCCCCCCCCCCCO1,0,0,0,0,0,0,0 | |
| 3750 CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O,,1,,0,,0,1 | |
| 3751 CCN(C)C(=O)Oc1cccc(c1)C(C)N(C)C,0,0,0,0,0,0,0 | |
| 3752 CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1,,,0,0,,,0 | |
| 3753 NC(=O)CN1C(=O)C=C(CCN2CCN(CC2)c3nccc4sccc34)c5ccc(F)cc15,1,1,0,0,,0,1 | |
| 3754 OC(CCl)CCl,0,0,0,0,0,0,0 | |
| 3755 OS(=O)(=O)c1cc(c2nc(ccc2c1)C3C(=O)c4ccccc4C3=O)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 3756 CC(N)CN,0,0,0,,0,0,0 | |
| 3757 CC(CN(C)C)CN1c2ccccc2Sc3ccc(cc13)C(F)(F)F,1,,,,,,1 | |
| 3758 COc1cccc(Br)c1,0,0,0,0,0,0,0 | |
| 3759 CN(C)CCC=C1c2ccccc2COc3ccccc13,0,0,0,0,,0,0 | |
| 3760 O=C(CCN1CCC(C1)c2ccccc2)c3ccc4OCCOc4c3,,0,1,,,,1 | |
| 3761 OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1,,1,1,1,1,1,1 | |
| 3762 COCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC,0,0,0,0,0,0,0 | |
| 3763 O=C1OC(=O)c2cc3C(=O)OC(=O)c3cc12,0,0,0,0,0,0,0 | |
| 3764 CC(C)(O)CCCC1=CCC(CC1)C=O,0,0,0,0,,0,0 | |
| 3765 CCCCOC(=O)C=CC(=O)OCCCC,0,0,,1,1,1,1 | |
| 3766 COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0,0,0,0,0,0,0 | |
| 3767 NC(=N)NN=C(C=Cc1oc(cc1)[N+](=O)[O-])C=Cc2oc(cc2)[N+](=O)[O-],1,1,1,,,1,1 | |
| 3768 CCCCCCCCN1CCCC1=O,0,0,0,0,0,0,0 | |
| 3769 Clc1ccc(c(Cl)c1)C(Cl)(Cl)Cl,0,0,0,,0,0,0 | |
| 3770 COS(=O)(=O)O,0,,0,0,0,0,0 | |
| 3771 Nc1nc2ccc(cc2s1)[N+](=O)[O-],1,0,,0,,0,1 | |
| 3772 CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,0,,0,0,0,,0 | |
| 3773 CC(C)OC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC(C)C,,0,0,,,0,0 | |
| 3774 CC(Cc1ccc(cc1)C(C)(C)C)C=O,0,0,0,,,0,0 | |
| 3775 Clc1ccc2ccccc2c1,0,0,0,0,0,0,0 | |
| 3776 CC(C)c1ccc(O)c(c1)C(C)C,,1,,,,0,1 | |
| 3777 S(Sc1cccs1)c2cccs2,,0,,,,,0 | |
| 3778 CN(C)CCOc1ccc(cc1)C(=C(CCCl)c2ccccc2)c3ccccc3,,1,,1,,,1 | |
| 3779 NNC(=O)CCCCC(=O)NN,0,0,0,0,0,0,0 | |
| 3780 CCC(=O)C1CC(CC=C1C)C(C)C,0,0,0,0,0,0,0 | |
| 3781 CN(C)C(=O)Oc1cc(C)n(n1)C(=O)N(C)C,0,0,0,0,0,0,0 | |
| 3782 NC(=O)c1ccc[n+](c1)C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O,0,,0,,0,,0 | |
| 3783 CC(OCCC(C)(C)O)C1CCC2C(=CC=C3CC(O)CC(O)C3=C)CCCC12C,,,,0,1,,1 | |
| 3784 CC(N)C(=O)Nc1c(C)cccc1C,0,0,0,0,0,0,0 | |
| 3785 OBr(=O)=O,0,0,0,0,0,0,0 | |
| 3786 CC(C(=O)O)c1ccc(s1)C(=O)c2ccccc2,1,1,0,1,,0,1 | |
| 3787 Cc1cccc(C)c1N,0,0,0,0,0,0,0 | |
| 3788 CC(N=C(NC#N)Nc1ccncc1)C(C)(C)C,0,0,0,,0,0,0 | |
| 3789 Clc1cccc(Cl)c1Cl,0,0,0,0,0,0,0 | |
| 3790 CC(C)C(Br)C(=O)NC(=O)N,0,0,,0,0,0,0 | |
| 3791 CCCCCCCCC(=O)OCC,0,0,0,0,0,0,0 | |
| 3792 CCCCCCOc1cc(C)c(O)c(C)c1C,1,1,,,,,1 | |
| 3793 ClC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl,0,0,,,,0,0 | |
| 3794 O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c2cccnc2)COC(=O)c3cccnc3)c4cccnc4,0,0,0,0,0,0,0 | |
| 3795 NC1CN(CC12CC2)c3c(F)cc4C(=O)C(=CN(C5CC5F)c4c3Cl)C(=O)O,0,,0,,0,,0 | |
| 3796 COC(OC)C(C)c1ccccc1,0,0,0,0,0,0,0 | |
| 3797 ClC(Cl)(Cl)C#N,0,0,,0,0,0,0 | |
| 3798 COC(=O)N(C(=O)N1COC2(Cc3cc(Cl)ccc3C2=N1)C(=O)OC)c4ccc(OC(F)(F)F)cc4,1,1,,1,,,1 | |
| 3799 CC1=C(CC(=O)O)c2cc(F)ccc2C1=Cc3ccc(cc3)S(=O)C,0,0,0,0,0,0,0 | |
| 3800 CCCC[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 3801 NCCCCCCN,0,0,0,0,0,0,0 | |
| 3802 Clc1ccc2CCc3ccccc3N(CCCN4CCC5(CC4)N6CCCCC6NC5=O)c2c1,,1,,,,,1 | |
| 3803 COc1cccc2OCC3CN(CCCCN4C(=O)Nc5c(sc6ncc(nc56)c7ccccc7)C4=O)CC3c12,,,,,,1,1 | |
| 3804 NC(=N)c1ccc(C=Cc2ccc(cc2O)C(=N)N)cc1,0,,,0,0,,0 | |
| 3805 CC1=CC(=O)NS(=O)(=O)O1,0,0,0,0,0,0,0 | |
| 3806 CC(C)(O)C1C2OC(=O)C1C3(O)CC4OC45C(=O)OC2C35C,0,,0,0,0,,0 | |
| 3807 CCC(C(=O)OCCN(CC)CC)c1ccccc1,0,0,0,0,0,0,0 | |
| 3808 COC1CC(OC2C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)CC4(CO4)C(=O)C(C)C(O)C(C)C(C)OC(=O)C2C)OC(C)C1O,0,,0,0,0,,0 | |
| 3809 COC(=O)c1ccc(C)cc1,0,0,0,0,0,0,0 | |
| 3810 OCCOc1ccccc1,0,0,0,0,0,0,0 | |
| 3811 CCOCCOCCOCCO,0,0,0,0,0,0,0 | |
| 3812 OC(=O)CCC=C,0,0,0,0,0,0,0 | |
| 3813 CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,,1,,1,1,1,1 | |
| 3814 Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0,0,0,0,,0,0 | |
| 3815 CC(C(=O)O)C12CCC3(C)C1CC(=O)C(C)C3C2=O,0,,0,0,,,0 | |
| 3816 CC(=O)c1ccc2ccc3ccccc3c2c1,1,,1,1,0,0,1 | |
| 3817 CC#N,0,0,0,0,0,0,0 | |
| 3818 C(CN1CCOCC1)OCCN2CCOCC2,0,0,0,0,0,0,0 | |
| 3819 CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc4ccc(cc4)c5ccccc5c6nn[nH]n6,,1,,,,1,1 | |
| 3820 C=CCN(CC=C)CC=C,0,0,0,0,0,0,0 | |
| 3821 Nc1cc(Cl)c(cc1O)[N+](=O)[O-],,0,0,,,1,1 | |
| 3822 Oc1nc2ccccc2n1C3CCN(CCCC(c4ccc(F)cc4)c5ccc(F)cc5)CC3,1,1,,0,,,1 | |
| 3823 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSC3=NC(=O)C(=O)NN3C)c4csc(N)n4,0,0,0,0,0,0,0 | |
| 3824 CN(C)CCC(O)(c1ccccc1)c2ccccc2Cl,0,,0,0,,,0 | |
| 3825 CCOC(=O)COc1ccc(Cl)cc1Cl,0,0,,0,0,0,0 | |
| 3826 Cc1cc(Cl)ccc1O,0,0,0,0,0,0,0 | |
| 3827 CCCCCCCCC(=O)OCC=C,0,0,0,0,0,0,0 | |
| 3828 O=Cc1cccc(Oc2ccccc2)c1,0,0,0,0,0,0,0 | |
| 3829 CN1CCN(CC1)C(=O)OC2N(C(=O)c3nccnc23)c4ccc(Cl)cn4,0,0,0,0,0,0,0 | |
| 3830 CCOP(=S)(OCC)SCSc1cc(Cl)ccc1Cl,0,0,0,0,0,0,0 | |
| 3831 OC(=O)C=Cc1ccc(Cn2ccnc2)cc1,0,0,0,0,0,0,0 | |
| 3832 ClCC=CCCl,0,0,0,0,0,0,0 | |
| 3833 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0,0,0,0,,0 | |
| 3834 Clc1cc2NC(=O)Cc2cc1CCN3CCN(CC3)c4nsc5ccccc45,1,,1,,,0,1 | |
| 3835 COc1ccc(cc1)C(O)(C2CC2)c3cncnc3,0,0,0,0,0,0,0 | |
| 3836 CCCCCCCCCCCCO,0,0,0,0,0,0,0 | |
| 3837 CC1=C(Cl)C(=O)Oc2cc(OP(=O)(OCCCl)OCCCl)ccc12,,0,0,0,0,0,0 | |
| 3838 CCc1ccc2C(=O)c3ccccc3C(=O)c2c1,1,1,,1,,0,1 | |
| 3839 ClP(=O)(Cl)c1ccccc1,0,0,0,,0,0,0 | |
| 3840 CC1CC2C(CCC3(C)C2CCC3(O)C(=O)C)C4(C)CCC(=O)C=C14,1,1,1,1,,,1 | |
| 3841 CC(C)(C)C(=O)CCc1ccc(Cl)cc1,0,0,0,0,0,,0 | |
| 3842 CC(C)c1ccccc1,0,0,0,,0,0,0 | |
| 3843 CC1(C)OC2CC(=O)OCC23C4CCC5(C)C(OC(=O)C6OC56C4(C)C(=O)CC13)c7cocc7,1,,1,1,0,0,1 | |
| 3844 C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O,0,0,0,0,0,0,0 | |
| 3845 CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23,0,0,0,0,0,0,0 | |
| 3846 CCCCOC(=O)C(=C)C,,0,0,,0,0,0 | |
| 3847 OC(=O)c1cc(Cl)cc(Cl)c1,,0,,0,0,0,0 | |
| 3848 CC(=C)C=C,,,,,0,0,0 | |
| 3849 CCCCNC(C)(C)[P+](=O)O,0,,0,0,0,,0 | |
| 3850 NC(=N)Nc1nc(CSCCC(=N)NS(=O)(=O)N)cs1,0,0,0,0,0,0,0 | |
| 3851 CC(=O)C(C)(C)C,0,0,0,0,0,0,0 | |
| 3852 COC(=O)C(C)N(C(=O)c1occc1)c2c(C)cccc2C,0,,0,0,0,0,0 | |
| 3853 OC(=O)C1C2CCC(O2)C1C(=O)O,1,1,,0,,0,1 | |
| 3854 COC(=O)C=C,0,0,0,0,0,0,0 | |
| 3855 COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(oc3C)c4ccccc4)cc2)cc1,,1,,,,,1 | |
| 3856 CC(C)n1nc(c2cc3cc(O)ccc3[nH]2)c4c(N)ncnc14,,1,,,,,1 | |
| 3857 NC1=NC(=O)C(O1)c2ccccc2,0,0,,0,,0,0 | |
| 3858 CC(CCc1ccc2OCOc2c1)NN,0,0,0,0,0,0,0 | |
| 3859 CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,0,0,0,0,0,0,0 | |
| 3860 Cc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2,0,0,0,0,0,0,0 | |
| 3861 CCC(=O)C=C,0,0,0,0,0,0,0 | |
| 3862 COc1ccccc1N2CCN(CCCNC3=CC(=O)N(C)C(=O)N3C)CC2,0,0,0,0,0,0,0 | |
| 3863 CCCCc1ccc(nc1)C(=O)O,0,,0,0,0,,0 | |
| 3864 Nc1cc(ccc1O)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 3865 OC1CCCC1,0,0,0,0,0,0,0 | |
| 3866 CCCCCCCCCC(=O)C,0,0,0,0,0,0,0 | |
| 3867 CS(=O)(=O)OCC(O)C(O)COS(=O)(=O)C,0,,0,0,0,,0 | |
| 3868 Cc1onc(N)c1,0,0,0,0,0,0,0 | |
| 3869 CCSC(=O)N1CCCCCC1,0,0,0,0,0,0,0 | |
| 3870 CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)c2cccc3CC(C)CNc23,0,0,0,0,0,0,0 | |
| 3871 CCOC(=O)C(Cl)Cc1cc(N2N=C(C)N(C(F)F)C2=O)c(F)cc1Cl,1,0,,1,0,0,1 | |
| 3872 CN1C(Cc2cc(N=NC(=O)N)c(O)cc12)S(=O)(=O)O,0,,0,0,0,,0 | |
| 3873 COC1=CC(=O)OC(C1)C=Cc2ccc3OCOc3c2,,,0,,1,0,1 | |
| 3874 ClCC=CCl,0,0,0,0,0,0,0 | |
| 3875 COc1c(Cl)ccc(Cl)c1C(=O)O,0,0,0,0,0,0,0 | |
| 3876 CCOc1ccc(NC(=O)OC(C)C)cc1OCC,0,0,0,0,0,0,0 | |
| 3877 CC(=C)C(=O)OCCOc1ccccc1,0,,0,,0,0,0 | |
| 3878 NC(=N)NS(=O)(=O)c1ccc(N)cc1,0,0,0,0,0,0,0 | |
| 3879 CN(C)CCS,0,,0,0,0,,0 | |
| 3880 CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO,1,0,1,1,,0,1 | |
| 3881 CCCCN(CCCC)C(=S)S,0,0,0,0,0,0,0 | |
| 3882 CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN4N(C)COc2c34)C(=O)O,0,0,0,0,0,0,0 | |
| 3883 Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl,,1,,,,,1 | |
| 3884 CC12C3CCC(O3)C1(C)C(=O)OC2=O,1,1,,,,1,1 | |
| 3885 CC1OC(C)C(=N1)C,,,,,,1,1 | |
| 3886 CC(C(O)c1ccccc1)N(C)C,0,,0,0,0,,0 | |
| 3887 CCCCC=CCCCCCCCCCC=O,0,0,0,0,0,0,0 | |
| 3888 OC(=O)CC(O)(CC(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 3889 CCCCN(CCCC)CCCCCCN(CCCC)CCCC,0,0,0,0,0,0,0 | |
| 3890 Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0,0,,0,0,0,0 | |
| 3891 N#CCCSCCC#N,0,0,0,0,0,0,0 | |
| 3892 CC(C)CCC(=O)C,0,0,0,0,0,0,0 | |
| 3893 CC(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,,1,0,,,,1 | |
| 3894 CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2OC(C)C(O)C2O,0,0,0,0,0,0,0 | |
| 3895 CCN(CC)c1cc(C)nc2ncnn12,0,0,0,0,0,0,0 | |
| 3896 CCC(=C(c1ccc(O)cc1)c2ccc(OCCN(C)C)cc2)c3ccccc3,,1,,1,,,1 | |
| 3897 Cc1cccc(C=C)c1,0,0,0,0,0,0,0 | |
| 3898 Brc1cc(Br)c(OCC=C)c(Br)c1,0,0,0,0,0,,0 | |
| 3899 COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(=O)O,0,0,0,0,0,0,0 | |
| 3900 CN1C(=O)N(Cc2occc2)c3[nH]c(C)nc3C1=O,0,,,1,0,0,1 | |
| 3901 CCCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(=O)CC12C)C(=O)CCl,1,,1,1,1,0,1 | |
| 3902 OCc1ccccc1O,0,,0,0,0,0,0 | |
| 3903 O=NN1CCCC1,0,0,0,0,0,0,0 | |
| 3904 CCCCCC(=O)C=C,0,0,0,0,0,0,0 | |
| 3905 Nc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 3906 ClCC(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 3907 CC1(C)N(Br)C(=O)N(Br)C1=O,0,0,0,0,0,0,0 | |
| 3908 CN(C)c1ccc(cc1)N=Nc2ccccc2C(=O)O,1,,,,,,1 | |
| 3909 CCC(=O)OCC=Cc1ccccc1,0,0,0,0,0,0,0 | |
| 3910 CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 3911 CCC(N)(CO)CO,0,0,0,0,0,0,0 | |
| 3912 CC(C)Oc1cccc(NC(=O)c2ccccc2C)c1,,0,0,0,1,,1 | |
| 3913 ClCCC#N,0,0,0,0,0,0,0 | |
| 3914 NCCCC(O)(P(=O)(O)O)P(=O)(O)O,0,0,0,0,0,0,0 | |
| 3915 CC1(C)CC1C(=O)NC(=CCCCCSCC(N)C(=O)O)C(=O)O,0,,0,0,0,,0 | |
| 3916 CC(C)c1ccc(OP(=O)(Oc2ccc(cc2)C(C)C)Oc3ccc(cc3)C(C)C)cc1,1,0,1,0,,1,1 | |
| 3917 OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O,0,0,0,0,0,0,0 | |
| 3918 COc1ccc(C)cc1[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 3919 CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,0,,0,0,0,,0 | |
| 3920 CN(C)C,0,0,0,0,0,0,0 | |
| 3921 CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C,0,,0,0,0,,0 | |
| 3922 NCC(O)CC(=O)O,0,,0,0,0,,0 | |
| 3923 COc1ccc2CC3C4CCC(=O)C5Oc1c2C45CCN3C,0,,0,0,0,,0 | |
| 3924 Oc1ccc(C(=O)c2ccccc2)c(O)c1O,0,1,0,,,1,1 | |
| 3925 CCCCCCC=O,0,0,0,0,0,0,0 | |
| 3926 CC1(C)CCC(CC1)NC(=O)C(N)CCC(=O)O,0,,0,0,0,,0 | |
| 3927 Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4,1,1,1,1,,1,1 | |
| 3928 NC(=C(N)C#N)C#N,0,0,,0,0,0,0 | |
| 3929 CCCCN(CCO)CCO,0,0,0,0,0,0,0 | |
| 3930 CCC(C)(C)C1CCC(=O)CC1,0,0,0,0,0,0,0 | |
| 3931 CNCCS(=O)(=O)O,0,0,0,0,0,0,0 | |
| 3932 CN(C)C(=O)Nc1ccc(C)c(NC(=O)N(C)C)c1,0,0,0,0,0,0,0 | |
| 3933 Fc1cc2OCC(=O)N(CC#C)c2cc1N3C(=O)C4=C(CCCC4)C3=O,,0,0,0,0,1,1 | |
| 3934 CC(C)(C)NCCNC(C)(C)C,0,0,0,0,0,0,0 | |
| 3935 O=C(Nc1ccccc1)Nc2cnns2,,1,,,1,0,1 | |
| 3936 [O-][N+](=O)c1ccccc1c2ccccc2,0,0,0,0,0,0,0 | |
| 3937 NCC1(CC(=O)O)CCCCC1,0,0,0,0,0,0,0 | |
| 3938 CN1C2CCC1CC(C2)OC(=O)c3c[nH]c4ccccc34,0,0,0,0,0,0,0 | |
| 3939 CC(=O)NC1CCSC1=O,0,0,0,0,0,0,0 | |
| 3940 COc1ccc(cc1)N=[N+]([O-])c2ccc(OC)cc2,1,1,,,1,0,1 | |
| 3941 CC(C)CC(=O)OCC=C,0,0,0,0,0,0,0 | |
| 3942 COC(=O)c1c(C)cc(O)c(C)c1O,,,0,0,,0,0 | |
| 3943 S=C(Nc1ccccc1)Nc2ccccc2,,1,0,0,0,,1 | |
| 3944 NC(=O)Nc1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 3945 CCN1CCCC1CNC(=O)c2cc(c(N)cc2OC)S(=O)(=O)CC,0,0,0,0,0,0,0 | |
| 3946 CCC1(C(=O)N(COC)C(=O)N(COC)C1=O)c2ccccc2,0,0,0,0,,0,0 | |
| 3947 CC1(C)C2CCC3(C2)C1C(=O)CCC3(C)C,0,0,0,,0,0,0 | |
| 3948 COC1(NC(=O)Cc2cccs2)C3SCC(=C(N3C1=O)C(=O)O)COC(=O)N,0,0,0,0,0,0,0 | |
| 3949 CCCCCCCCCCCCSC,0,0,0,0,0,0,0 | |
| 3950 [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1,0,,0,0,0,0,0 | |
| 3951 Clc1ccc(OCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1,0,1,0,,0,0,1 | |
| 3952 CC[N+](C)(C)c1cccc(O)c1,0,0,0,0,0,0,0 | |
| 3953 COc1cc(cc(OC)c1O)C2C3C(COC3=O)C(O)c4cc5OCOc5cc24,1,,1,0,,,1 | |
| 3954 CCCCCCCCCCCCCCCCCCn1cc[n+](C)c1,1,1,,1,,1,1 | |
| 3955 CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,1,1,1,1,,,1 | |
| 3956 Oc1cccc2Cc3cccc(O)c3C(=O)c12,0,0,0,0,0,0,0 | |
| 3957 CCCCOc1ccc(OCCCN2CCOCC2)cc1,0,0,0,,1,0,1 | |
| 3958 NCCNCCO,0,,0,0,0,0,0 | |
| 3959 Oc1ccc(OCc2ccccc2)cc1,1,1,,1,,1,1 | |
| 3960 CCOC(=O)C=CC(=O)OCC,0,0,0,0,0,0,0 | |
| 3961 CCCCCCC(=O)OCC,0,0,0,0,,0,0 | |
| 3962 CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC=O)CC(C)C(=O)C=CC3(C)OC3C1C,1,1,1,,,,1 | |
| 3963 Nc1cc(O)nc(N)n1,0,0,0,0,0,0,0 | |
| 3964 Oc1ccc(cc1)N=Nc2ccccc2,1,1,,1,,1,1 | |
| 3965 COC(=O)c1cccnc1,0,0,0,0,0,0,0 | |
| 3966 COCCOc1cc2cc(C(=O)NC3CCN(CC3)C(C)C)n(CC(=O)Nc4ccc(Cl)cn4)c2cn1,0,1,0,0,,0,1 | |
| 3967 Oc1ccc(cc1)C(=O)c2ccc(O)cc2,,1,0,1,,0,1 | |
| 3968 CCCN1CCCC2Cc3nc(N)ncc3CC12,0,0,0,0,0,0,0 | |
| 3969 OC(=O)c1ccc(NC(=O)c2ccccc2)cc1O,0,0,0,0,0,0,0 | |
| 3970 O=C1OC(=O)C2C3CC(C=C3)C12,0,0,0,0,0,0,0 | |
| 3971 NC1=C(Cl)C(=O)N(N=C1)c2ccccc2,0,0,0,0,0,0,0 | |
| 3972 CCC(Cc1ccccc1)(N(C)C)C(=O)c2ccc(cc2)N3CCOCC3,,1,,0,,0,1 | |
| 3973 [O-][N+](=O)c1cnc(NC(=O)c2cccs2)s1,1,,,1,,,1 | |
| 3974 CN(CC=Cc1ccccc1)Cc2cccc3ccccc23,0,0,0,0,,0,0 | |
| 3975 CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C,0,,0,0,0,,0 | |
| 3976 CCCCC(CC)COC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 3977 NCC=CC(=O)O,0,0,0,0,,0,0 | |
| 3978 CC1(C)N(CO)C(=O)NC1=O,0,0,0,0,0,0,0 | |
| 3979 Nc1cccc(N)c1,0,0,0,0,0,0,0 | |
| 3980 CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I,,,0,0,0,0,0 | |
| 3981 NC1=NC(=O)N(C=N1)C2OC(CO)C(O)C2O,1,,1,,,,1 | |
| 3982 FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C(F)(F)C3(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C23F,0,0,0,0,0,0,0 | |
| 3983 CC(=O)Nc1cc(cc2cc(c(N=Nc3ccccc3)c(O)c12)S(=O)(=O)O)S(=O)(=O)O,,,0,,,,0 | |
| 3984 COc1cc2c(ncnc2cc1OCCCN3CCCCC3)N4CCN(CC4)C(=O)Nc5ccc(OC(C)C)cc5,,,1,1,,0,1 | |
| 3985 CC#CCC(C)C(O)C=CC1C(O)CC2Oc3c(CCCC(=O)O)cccc3C12,1,1,,0,0,,1 | |
| 3986 Oc1ccccc1CC=C,0,0,0,0,0,0,0 | |
| 3987 Cc1cc(CCN2CCN(CC2)c3nsc4ccccc34)cc5c1NC(=O)CC5(C)C,1,,,,,,1 | |
| 3988 CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,1,1,,,,,1 | |
| 3989 CCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3,1,1,,,,1,1 | |
| 3990 CC(C)CCCC(C)NC(C)C,0,,0,0,0,,0 | |
| 3991 ClC(Cl)C(=O)N1CCOC12CCCCC2,0,0,0,0,,0,0 | |
| 3992 CC(C)(c1cc(Br)c(OCC(Br)CBr)c(Br)c1)c2cc(Br)c(OCC(Br)CBr)c(Br)c2,0,0,0,0,0,0,0 | |
| 3993 NCCN,0,,0,0,0,0,0 | |
| 3994 CCN(CC)CCOC(=O)C(C)(c1ccccc1)c2ccccc2,0,0,0,0,,0,0 | |
| 3995 Clc1ccc2c(c1)C(=NCc3nncn23)c4ccccc4,0,,0,0,0,,0 | |
| 3996 NNc1nc(cs1)c2ccccc2,,,1,,,1,1 | |
| 3997 COC(=O)c1c(CC(C)C)c(C2=NCCS2)c(nc1C(F)F)C(F)(F)F,1,0,0,0,,0,1 | |
| 3998 NNc1nnc(NN)c2ccccc12,0,0,0,0,0,0,0 | |
| 3999 Nc1cc(Cl)c(N)c(Cl)c1,,,0,,0,0,0 | |
| 4000 CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc3ccccc3C#N,,,0,,,,0 | |
| 4001 COc1cccc(C=O)c1,0,0,0,0,0,0,0 | |
| 4002 CC1(O)CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,1,1,1,1,,,1 | |
| 4003 COCc1c(nc(C(C)C)c(C=CC(O)CC(O)CC(=O)O)c1c2ccc(F)cc2)C(C)C,1,1,,1,1,,1 | |
| 4004 Nc1nc(O)c2N(CC=C)C(=O)N(C3OC(CO)C(O)C3O)c2n1,0,0,0,0,0,0,0 | |
| 4005 CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3,,1,0,1,0,0,1 | |
| 4006 Clc1cccc(Cl)c1N(CC=C)C2=NCCN2,0,,0,0,0,,0 | |
| 4007 OC(=O)c1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 4008 CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1,,0,0,0,0,0,0 | |
| 4009 CC(C)NCC(O)COc1ccccc1CC=C,0,0,0,0,,0,0 | |
| 4010 Cc1cc(O)c(cc1C(C)(C)C)C(C)(C)C,,1,,,,,1 | |
| 4011 ClC1=C(Cl)C(=O)c2ccccc2C1=O,1,1,,1,1,,1 | |
| 4012 CCN(CC)CCOc1ccc(cc1)C(=C(Cl)c2ccccc2)c3ccccc3,,1,,1,,,1 | |
| 4013 CC(=C)c1cccc(c1)C(C)(C)N=C=O,0,0,0,0,0,0,0 | |
| 4014 ONC(=O)C1(CCCC1)N(CCC(=O)O)S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2,0,0,0,0,0,0,0 | |
| 4015 CC1CN1,0,0,0,0,0,0,0 | |
| 4016 CC(C)(C)c1ccc(O)c(c1)C(C)(C)C,,1,,,,0,1 | |
| 4017 CCCC1CC(N(C)C1)C(=O)NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O,0,,0,0,,,0 | |
| 4018 NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23,0,0,0,0,0,0,0 | |
| 4019 CC(C)CC(C)CC(C)C=C(C)C1CC(=O)OC1=O,,,,0,,0,0 | |
| 4020 CCOc1cc(OCC)c(cc1OCC)C(=O)CCC(=O)O,,,0,0,0,,0 | |
| 4021 COc1nc(N)nc2c1ncn2C3OC(CO)C(O)C3O,0,0,0,,,0,0 | |
| 4022 CCCCOC(=O)CCC(=O)OCCCC,0,0,0,0,0,0,0 | |
| 4023 CCCCCCCCCCCCS,0,0,0,0,0,0,0 | |
| 4024 CC1N=C(N)OC1c2ccccc2,0,0,0,,0,0,0 | |
| 4025 CCCCCCCCC=CCCCCCCCCN,0,0,0,0,0,,0 | |
| 4026 CCCN(CCCl)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 4027 COc1cc(C=CC)ccc1O,0,0,0,0,0,0,0 | |
| 4028 Clc1cccc(SC2CCNCC2)n1,,,0,0,0,0,0 | |
| 4029 NNC(=O)c1ccncc1,0,0,0,0,0,0,0 | |
| 4030 CC1(C)COP(Oc2ccccc2)OC1,0,0,0,,1,0,1 | |
| 4031 NC(=N)N=C(N)N1CCOCC1,0,0,0,0,0,0,0 | |
| 4032 CN(C(=O)C)c1c(I)c(NC(=O)C)c(I)c(C(=O)NC2C(O)OC(CO)C(O)C2O)c1I,0,,0,0,0,,0 | |
| 4033 C1CCNCC1,0,,0,0,0,0,0 | |
| 4034 COC(=O)c1ccccc1C(=O)O,0,0,0,0,0,0,0 | |
| 4035 CC(=C)C(=O)OC1CC2CCC1(C)C2(C)C,0,0,0,0,0,0,0 | |
| 4036 OCC1OC2OC3C(O)C(O)C(OC3CO)OC4C(O)C(O)C(OC4CO)OC5C(O)C(O)C(OC5CO)OC6C(O)C(O)C(OC6CO)OC7C(O)C(O)C(OC7CO)OC8C(O)C(O)C(OC8CO)OC1C(O)C2O,0,0,0,0,0,0,0 | |
| 4037 OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,0,0,0,0,0,0,0 | |
| 4038 COc1ccc(C)cc1N,0,0,0,0,0,0,0 | |
| 4039 CC1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O,0,0,0,0,0,0,0 | |
| 4040 OC(=O)c1ccccc1OC(=O)c2ccccc2O,0,0,0,0,0,0,0 | |
| 4041 CC12CCC3C(CC(=C)C4=CC(=O)C=CC34C)C1CCC2=O,1,1,,1,,0,1 | |
| 4042 CC(=CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3)C,1,1,1,1,,1,1 | |
| 4043 Cc1ncc([N+](=O)[O-])n1C,0,0,0,0,0,0,0 | |
| 4044 ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl,,0,0,0,0,,0 | |
| 4045 CCOc1ccc(OCC)c(Cl)c1,0,0,0,0,0,0,0 | |
| 4046 CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C,,0,0,0,0,0,0 | |
| 4047 CCC=CCCCCCO,0,0,0,0,0,0,0 | |
| 4048 CC1(C)SC2C(NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2C1C(=O)O,0,0,0,0,0,0,0 | |
| 4049 COc1ccc(cc1)C(=O)C(=CC(=O)O)Br,1,1,,,,1,1 | |
| 4050 CC=CC1=C(N2C(SC1)C(NC(=O)C(N)c3ccc(O)cc3)C2=O)C(=O)O,,,0,0,,,0 | |
| 4051 Cc1cnc(c[n+]1[O-])C(=O)O,0,,0,0,0,,0 | |
| 4052 CCCCCCCCOC(=O)C=C,0,0,0,0,0,0,0 | |
| 4053 CC(CNC(=O)CCC1(C)C(CC(=O)N)C2NC1=C(C)C3=NC(=CC4=NC(=C(C)C5=NC2(C)C(C)(CC(=O)N)C5CCC(=O)N)C(C)(CC(=O)N)C4CCC(=O)N)C(C)(C)C3CCC(=O)N)OP(=O)(O)OC6C(O)C(OC6CO)n7cnc8cc(C)c(C)cc78,0,0,0,0,0,0,0 | |
| 4054 OC(COc1cccc2OC(=CC(=O)c12)C(=O)O)COc3cccc4OC(=CC(=O)c34)C(=O)O,0,0,0,0,0,0,0 | |
| 4055 OCC1=CC(=O)C(=CO1)O,0,0,0,0,0,0,0 | |
| 4056 CCOC=C1N=C(OC1=O)c2ccccc2,0,0,,0,,0,0 | |
| 4057 NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C3CC4CC3C=C4)cc1Cl,0,0,0,0,0,0,0 | |
| 4058 CCOC(=CC(=O)C)O,0,0,0,0,0,0,0 | |
| 4059 OC(=O)c1ccccc1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c(O)c(Br)cc24)Br,,,,0,,,0 | |
| 4060 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3cccc(c3)C(F)(F)F,,0,0,0,,,0 | |
| 4061 OC(Cc1cccnc1)(P(=O)(O)O)P(=O)(O)O,0,0,0,0,0,0,0 | |
| 4062 OC(=O)C1CCCN1,0,,0,0,0,,0 | |
| 4063 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO,1,1,,1,,0,1 | |
| 4064 CCCCC(CC)COC(=O)c1ccc(O)cc1,,1,,,,0,1 | |
| 4065 c1ccc2c(c1)sc3ccccc23,0,0,0,0,,0,0 | |
| 4066 CCOCC(=O)O,0,0,0,0,0,0,0 | |
| 4067 C=Cc1ccccc1C=C,0,0,0,0,0,0,0 | |
| 4068 CCOC(C)OCC,0,0,0,0,0,0,0 | |
| 4069 CC(CN(C)C)CN1c2ccccc2Sc3ccccc13,0,0,,0,,,0 | |
| 4070 C1Cc2ccccc2CN1,0,0,0,0,0,0,0 | |
| 4071 COC(=O)C(N)Cc1ccc(O)c(O)c1,0,0,0,0,,0,0 | |
| 4072 OCCN(CCO)CCN(CCO)CCO,0,0,,0,0,0,0 | |
| 4073 Brc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1,1,,,,,,1 | |
| 4074 COc1cccc(O)c1O,1,1,0,,,1,1 | |
| 4075 CCOC(=O)OC(C)OC1=C(N(C)S(=O)(=O)c2ccccc12)C(=O)Nc3ccccn3,1,0,1,,0,0,1 | |
| 4076 OCCOCCOCCOCCOCCO,0,0,0,0,0,0,0 | |
| 4077 CCOCCOC(=O)C(=C)C,0,,0,0,0,0,0 | |
| 4078 CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C12,0,0,0,0,0,0,0 | |
| 4079 O=C1N(CCCCN2CCN(CC2)c3ncccn3)S(=O)(=O)c4ccccc14,0,0,0,0,0,0,0 | |
| 4080 OC(=O)c1cc2ccccc2nc1C(=O)O,0,0,0,0,0,0,0 | |
| 4081 CC1C(O)CCC2(C)C1CCC3(C)C2C(O)CC4C(=C(CCC=C(C)C)C(=O)O)C(CC34C)OC(=O)C,0,,0,0,0,,0 | |
| 4082 CC12CCC(CC1)C(C)(C)O2,0,0,0,0,0,0,0 | |
| 4083 CC(=CC1C(C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C)C,0,,0,0,0,,0 | |
| 4084 CC(=O)CCC1=C(C)CCCC1(C)C,,,0,0,0,0,0 | |
| 4085 FC(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F,0,0,0,0,0,0,0 | |
| 4086 Cc1ccccn1,0,0,0,0,0,0,0 | |
| 4087 CC(C)C(=O)OCC=Cc1ccccc1,0,0,0,0,0,0,0 | |
| 4088 C[N+](C)(C)C,0,0,0,0,0,0,0 | |
| 4089 CCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl,1,1,,,,1,1 | |
| 4090 BrCCc1ccccc1,0,0,0,0,0,0,0 | |
| 4091 CCCCCCCCCCCC(=O)N(CCO)CCO,,,,0,,,0 | |
| 4092 C1CCC(CC1)N(Sc2nc3ccccc3s2)C4CCCCC4,0,0,,,1,,1 | |
| 4093 COC(=O)c1ccccc1C(=O)OC,0,0,0,0,0,0,0 | |
| 4094 OC1CCCCC1,0,0,0,0,0,0,0 | |
| 4095 CC(O)CCl,0,0,0,0,0,0,0 | |
| 4096 CCN(CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2,1,,0,0,,0,1 | |
| 4097 CC(=O)C1CCC2C3CCC4CC(C)(O)CCC4(C)C3CCC12C,0,0,0,0,0,0,0 | |
| 4098 CCOc1cc(CC(=O)NC(CC(C)C)c2ccccc2N3CCCCC3)ccc1C(=O)O,1,,1,1,0,1,1 | |
| 4099 CCCSP(=O)(OCC)SCCC,0,0,0,0,0,0,0 | |
| 4100 CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCS,,,0,0,0,,0 | |
| 4101 CCOP(=S)(OCC)SCCl,,0,,,0,0,0 | |
| 4102 CCC(=O)OC(C)(CCC=C(C)C)C=C,0,0,0,0,0,0,0 | |
| 4103 COC(=O)Cl,0,0,0,0,0,0,0 | |
| 4104 ON1C=CC=CC1=S,1,1,,,,1,1 | |
| 4105 OCCN(CCO)CCO,0,0,0,0,0,0,0 | |
| 4106 CC1COC(Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl,1,1,1,,,,1 | |
| 4107 CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1,0,0,0,0,0,0,0 | |
| 4108 OCCNCCO,0,0,0,0,0,0,0 | |
| 4109 CC(C)(C)CC(C)(C)c1ccc(O)c(c1)n2nc3ccccc3n2,0,,0,0,,0,0 | |
| 4110 CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5c[nH]cn5)NC(=O)C6CCC(=O)N6,0,,0,0,0,,0 | |
| 4111 CCOC(=O)CCC(=O)C,0,0,0,0,0,,0 | |
| 4112 CCC(C)OC(C)CC,0,,0,0,0,0,0 | |
| 4113 Nc1cc(Cl)cc(c1O)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 4114 CC(=C)C1CCC(C)(O)CC1,0,0,0,0,0,0,0 | |
| 4115 Cc1cccc(C(=O)O)c1[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 4116 O=C(OCC1CCC2OC2C1)C3CCC4OC4C3,0,0,0,0,0,0,0 | |
| 4117 N#CCCC#N,0,0,0,0,0,0,0 | |
| 4118 COC(F)(F)C(Cl)Cl,0,,0,0,0,,0 | |
| 4119 COC1C(CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6,1,1,1,1,,,1 | |
| 4120 CCC(=O)N(C1CCN(Cc2cccs2)CC1)c3ccccc3,0,0,0,,,,0 | |
| 4121 ClC(Cl)Br,,0,0,0,0,0,0 | |
| 4122 CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O,0,0,0,0,0,0,0 | |
| 4123 COC1C=COC2(C)Oc3c(C)c(O)c4C(=C(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)C)C5=NC6(CCN(CC(C)C)CC6)N=C5c4c3C2=O)O,,,,0,,1,1 | |
| 4124 COC(=O)CCCCCCCCC(=O)OC,0,0,0,0,0,0,0 | |
| 4125 CCCCCCCCC=CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,0,,,0,,,0 | |
| 4126 CC(C)CCCO,0,0,0,,0,0,0 | |
| 4127 CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 4128 CN(C)C(=O)C(Cl)C(=O)C,,,1,0,1,,1 | |
| 4129 CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O,0,,,0,,,0 | |
| 4130 CC1(C)SC2C(NC(=O)C(NC(=O)N3CCNC3=O)c4ccccc4)C(=O)N2C1C(=O)O,0,,0,0,0,,0 | |
| 4131 CCOC(=C1C(C(=C(C)N=C1C)C(=O)OC)c2cccc(c2)[N+](=O)[O-])O,1,0,1,0,,0,1 | |
| 4132 CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4,,,,0,,0,0 | |
| 4133 O=S(=O)(c1ccccc1)c2ccccc2,,0,0,0,0,0,0 | |
| 4134 Cc1cc(Br)ccc1NC(=O)CCl,,,,,,1,1 | |
| 4135 Oc1ccc(O)cc1,1,1,,0,,0,1 | |
| 4136 CC(C)(C)OOC(C)(C)C,0,0,0,0,,0,0 | |
| 4137 CC(C)SCc1occc1,0,0,,0,0,0,0 | |
| 4138 O=C(OC1CN2CCC1CC2)N3CCc4ccccc4C3c5ccccc5,0,,0,0,,,0 | |
| 4139 NC1CCN(CC1)c2cccc(Cl)n2,0,0,0,0,,0,0 | |
| 4140 CC(C)CC(NC(=O)C(O)C(N)Cc1ccccc1)C(=O)O,0,,1,0,0,,1 | |
| 4141 CN1CCCC1Cc2c[nH]c3ccc(CCS(=O)(=O)c4ccccc4)cc23,0,0,0,0,,0,0 | |
| 4142 CCN(CC)CCNc1ccc(CNC=O)c2Sc3ccc(OC)cc3C(=O)c12,1,1,1,,,,1 | |
| 4143 CC(C)(C)C(O)C(Oc1ccc(cc1)c2ccccc2)n3cncn3,,1,,,,,1 | |
| 4144 COC(COC(=O)N)C1=C(N2CC2)C(=O)C(=C(N3CC3)C1=O)C,1,1,,,1,,1 | |
| 4145 CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,1,1,,1,1,1,1 | |
| 4146 OS(=O)(=O)NC1CCCCC1,0,0,0,0,0,0,0 | |
| 4147 [O-][N+](=O)c1ccccc1CCl,0,,0,0,0,1,1 | |
| 4148 CNC1CCC(c2ccc(Cl)c(Cl)c2)c3ccccc13,,1,,,,1,1 | |
| 4149 OC(=O)c1cc(Cl)ccc1Cl,0,0,0,0,0,0,0 | |
| 4150 CCCCNS(=O)(=O)c1ccccc1,0,0,0,,0,0,0 | |
| 4151 CCCCCCC1(C)CCC(=O)O1,0,0,0,0,0,,0 | |
| 4152 Oc1nc2ccccc2n1CCCN3CCN(CC3)C(c4ccccc4)c5ccccc5,1,,1,,,,1 | |
| 4153 Cc1nc(cn1c2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 4154 CCC(C)NC(=O)N,0,0,0,0,0,0,0 | |
| 4155 CCOC(OCC)OCC,0,0,0,0,0,0,0 | |
| 4156 CC(=O)Nc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,0,0,0,0,0,0,0 | |
| 4157 c1nc[nH]n1,0,0,0,0,0,0,0 | |
| 4158 CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n2cncn2,,0,0,0,0,0,0 | |
| 4159 NC(=O)n1c(O)c(C(=O)c2cccs2)c3cc(Cl)ccc13,,1,,,,1,1 | |
| 4160 CNC(=O)Oc1cccc2CC(C)(C)Oc12,0,0,0,0,0,0,0 | |
| 4161 CCOC(=O)C(C)C(=O)C,0,0,0,0,0,0,0 | |
| 4162 CC(=O)CC(=O)Nc1ccc2[nH]c(O)nc2c1,0,0,0,,0,0,0 | |
| 4163 CCOP(=S)(Cl)OCC,0,0,,,,0,0 | |
| 4164 COP(=O)(O)OP(=O)(O)OC,0,0,0,,0,0,0 | |
| 4165 OC(=O)C(=C(Cl)C=O)Cl,,,1,,,,1 | |
| 4166 CCOC(=O)C1CC(=C(C(=O)C2CC2)C(=O)C1)O,0,0,0,0,0,0,0 | |
| 4167 CCCCCCOC(=O)c1ccccc1,,0,0,0,0,0,0 | |
| 4168 Cc1[nH]cnc1CN2CCc3c(C2=O)c4ccccc4n3C,0,,,0,0,0,0 | |
| 4169 CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)NC(CC(=O)O)C(=O)NC(Cc3ccccc3)C(=O)N,0,0,0,0,0,0,0 | |
| 4170 Cc1cccc(c1)C#N,0,0,0,0,0,0,0 | |
| 4171 CC(C)(CCl)c1ccccc1,0,0,0,0,0,0,0 | |
| 4172 N#CSCSc1nc2ccccc2s1,1,1,1,,,1,1 | |
| 4173 Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 4174 Cc1nc2cc(Cl)ccc2[nH]1,0,0,0,0,0,0,0 | |
| 4175 CC(=O)c1c(C)c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],0,1,0,0,,0,1 | |
| 4176 CC(=O)OCC1=C(N2C(SC1)C(N)C2=O)C(=O)O,0,0,0,0,0,0,0 | |
| 4177 CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 4178 [O-][N+](=O)c1cc(c(Cl)c(c1Nc2ncc(cc2Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,,1,,1,,1,1 | |
| 4179 CCCCOCCOCCO,0,0,0,0,0,0,0 | |
| 4180 CCC(C)C(N)C1=NC(CS1)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC2CCCCNC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(Cc3c[nH]cn3)NC(=O)C(Cc4ccccc4)NC(=O)C(NC(=O)C(CCCN)NC2=O)C(C)CC,0,,0,0,0,,0 | |
| 4181 Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(Cl)cc3)C(=O)NN4CCCCC4,1,,,0,,,1 | |
| 4182 CCCCCCC#CC(=O)OC,0,0,0,0,0,0,0 | |
| 4183 BrCC(Br)(CCC#N)C#N,,,1,,,,1 | |
| 4184 CCCCOCC(C)OCC(C)O,0,0,0,0,0,0,0 | |
| 4185 OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3,0,,0,0,0,0,0 | |
| 4186 CC1CCC2CC1C2(C)C,0,0,0,0,0,0,0 | |
| 4187 CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c3ccc(Oc4ccc(N)cc4)cc3,,1,,,,,1 | |
| 4188 OC(=O)c1oc2ccc(Cc3cccnc3)cc2c1,0,,0,0,0,,0 | |
| 4189 O=C(CCCCCCCCCCCCC1CCCC1)Nc2ccc(cc2)S(=O)(=O)c3ccc(NC(=O)CCCCCCCCCCCCC4CCCC4)cc3,0,,0,0,0,,0 | |
| 4190 CCCN1CCCC2Cc3[nH]ncc3CC12,0,0,0,0,,0,0 | |
| 4191 CCOc1ccccc1O,0,0,0,0,0,0,0 | |
| 4192 OCC1OC(S)C(O)C(O)C1O,1,,1,0,,,1 | |
| 4193 CCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC,,0,0,,1,0,1 | |
| 4194 CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2,,1,0,,,,1 | |
| 4195 CC=C(C)C=CC=C(C)C,,0,,0,,0,0 | |
| 4196 NCC(=O)O,0,0,0,0,0,0,0 | |
| 4197 Nc1nc(cs1)C(=CCC(=O)O)C(=O)NC2C3SCC=C(N3C2=O)C(=O)O,0,,0,0,0,,0 | |
| 4198 CC1=C(C)C(=O)C(=C(C)C1=O)CCCCC#CCCCC#CCO,1,1,0,,,1,1 | |
| 4199 CS(=O)(=O)c1ccc(cc1)C(O)C(CO)NC(=O)C(Cl)Cl,0,0,0,0,0,0,0 | |
| 4200 CC(=O)c1ccc(cc1)C(=O)C,0,,0,0,0,0,0 | |
| 4201 CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,0,0,0,0,,0,0 | |
| 4202 Clc1cccc(NN=C(C#N)C#N)c1,,1,,1,,1,1 | |
| 4203 Cc1cc(ccc1NC(=O)c2cccc(I)c2C(=O)NC(C)(C)CS(=O)(=O)C)C(F)(C(F)(F)F)C(F)(F)F,1,,0,0,1,,1 | |
| 4204 Cc1cccnc1,0,0,0,0,0,0,0 | |
| 4205 CCC(=O)N(C1CCN(CCc2cccs2)CC1C)c3ccccc3,,,0,,,0,0 | |
| 4206 CC(C)(C)C(=O)OCOC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)c3ccccc3)C2=O,0,0,0,0,0,0,0 | |
| 4207 OC(=O)c1ccccc1C(=O)O,0,0,0,0,0,0,0 | |
| 4208 OC(C(=O)OC1CC2CCC(C1)[N+]23CCCC3)(c4ccccc4)c5ccccc5,0,0,0,0,0,0,0 | |
| 4209 CCCCC(CC)COP(=O)(O)OCC(CC)CCCC,1,1,,0,,1,1 | |
| 4210 COC(=O)c1cc(Cl)cc(Cl)c1,0,0,0,0,0,0,0 | |
| 4211 COC(=C1C(C(=C(C)N=C1C)C(=O)OC)c2ccccc2OC(F)F)O,0,0,1,0,,0,1 | |
| 4212 NC1=NC(=O)N(C=C1)C2COC(CO)O2,0,0,0,0,,0,0 | |
| 4213 CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1,0,0,0,0,0,0,0 | |
| 4214 C(C1COc2ccccc2O1)N3CCCCC3,0,,0,0,0,,0 | |
| 4215 OC(=O)CCC(=O)C(=O)O,0,0,0,0,0,0,0 | |
| 4216 CCC(O)C(C)(C)C,0,0,0,0,0,0,0 | |
| 4217 CCOC(=O)C=C(C)C=CC=C(C)C=Cc1c(C)cc(OC)c(C)c1C,1,1,,1,1,,1 | |
| 4218 Oc1ccc(C(=O)c2ccc(O)cc2O)c(O)c1,1,1,,0,1,0,1 | |
| 4219 OS(=O)(=O)CCS,0,0,0,0,0,0,0 | |
| 4220 NC(=O)CS(=O)C(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 4221 NC(Cc1ccc(cc1)N(CCCl)CCCl)C(=O)O,1,1,0,,,,1 | |
| 4222 [O-][N+](=O)c1cccc(c1)C(=O)Cl,0,0,0,0,,0,0 | |
| 4223 CCOC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 4224 Clc1ccc(c(Cl)c1)C2(Cn3cncn3)OCCO2,0,0,0,0,0,0,0 | |
| 4225 o1c2ccccc2c3ccccc13,0,0,0,0,0,0,0 | |
| 4226 CC(Cl)C(C)Cl,0,0,0,0,0,0,0 | |
| 4227 CCC1(CC)C(=O)NC(=O)NC1=O,0,0,0,0,0,0,0 | |
| 4228 CNCCc1ccccn1,0,0,0,0,0,0,0 | |
| 4229 CCOc1ccccc1OCC,0,0,0,0,0,0,0 | |
| 4230 CCOC(=C1C(C(=C(C)N=C1C)C(=O)OCC)c2ccccc2C=CC(=O)OC(C)(C)C)O,1,1,,1,,1,1 | |
| 4231 CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4,0,0,0,0,,,0 | |
| 4232 CC(=O)Nc1ccccc1,0,0,0,0,0,0,0 | |
| 4233 OOC1CCOP(=O)(N1)N(CCCl)CCCl,,,0,0,0,,0 | |
| 4234 O=C1C2CCCCC2C(=O)N1CCCCN3CCN(CC3)c4nsc5ccccc45,,0,0,,,0,0 | |
| 4235 CCC1CCC(=O)O1,0,0,0,0,0,0,0 | |
| 4236 CCCCCCNCCCCCC,0,0,0,0,0,0,0 | |
| 4237 CNC(CC(C)C)C(=O)NC1C(O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)C(O)C6NC(=O)C(NC(=O)C4NC(=O)C(CC(=O)N)NC1=O)c7ccc(O)c(c7)c8c(O)cc(O)cc8C(NC6=O)C(=O)O)c3OC9OC(CO)C(O)C(O)C9OC%10CC(C)(N)C(O)C(C)O%10)c(Cl)c2,,,0,0,0,,0 | |
| 4238 COc1cc(CC(C)N)c(OC)cc1C,0,0,0,0,,0,0 | |
| 4239 CCN(CC)N=O,0,0,0,0,0,0,0 | |
| 4240 CC(C)c1ccccc1O,0,0,0,0,0,0,0 | |
| 4241 COCCOCCOCCOCCOCCO,0,0,0,0,0,0,0 | |
| 4242 Cc1c(C)c2OC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)CCc2c(C)c1O,,1,,,,1,1 | |
| 4243 COc1nccnc1NS(=O)(=O)c2ccc(N)cc2,0,0,0,0,0,0,0 | |
| 4244 CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12,0,0,0,0,0,0,0 | |
| 4245 CCCc1ccccc1O,0,0,0,,,0,0 | |
| 4246 CCCCCCCCCCCCOC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 4247 CC(C)Cn1cnc2N(C)C(=O)N(C)C(=O)c12,0,0,0,0,,0,0 | |
| 4248 CCC(=C(CC)c1ccc(OP(=O)(O)O)cc1)c2ccc(OP(=O)(O)O)cc2,0,1,0,0,0,,1 | |
| 4249 CCC1(C(=O)NC(=O)NC1=O)c2ccccc2,0,0,0,0,0,0,0 | |
| 4250 CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC,0,0,0,0,0,0,0 | |
| 4251 CN(C)c1ccccc1,0,0,0,0,0,0,0 | |
| 4252 CCOC(=O)Cc1ccccc1,0,0,0,0,0,0,0 | |
| 4253 COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCC(F)F)cccc3C(F)(F)F)nc12,0,0,0,0,0,0,0 | |
| 4254 OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,0,0,0,0,0,0,0 | |
| 4255 Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2,0,0,0,0,0,0,0 | |
| 4256 CCCOC(=O)c1ccc(O)cc1,,1,0,1,0,0,1 | |
| 4257 Cc1ccc(NC(=O)N)cc1,0,0,0,0,0,0,0 | |
| 4258 CC(C)NCC(O)c1ccc2ccccc2c1,,0,0,0,,0,0 | |
| 4259 Oc1ccc(NC(=O)c2ccccc2O)cc1,1,1,0,1,0,,1 | |
| 4260 CC(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1,0,,0,0,0,0,0 | |
| 4261 [O-][N+](=O)c1cccc(I)c1,0,0,0,0,0,0,0 | |
| 4262 CCCCCCCCCCCCCCCCCCOS(=O)(=O)O,0,,,,,,0 | |
| 4263 CC12CCC3C(CC=C4CC(CCC34C)OS(=O)(=O)O)C1CCC2=O,0,,0,0,0,,0 | |
| 4264 CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC(=O)C3CC(=O)CCN3C(=O)C(Cc4ccccc4)N(C)C(=O)C5CCCN5C1=O)c6ccccc6,0,,0,0,0,,0 | |
| 4265 CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,0,,0,0,0,,0 | |
| 4266 OC(=O)C(=O)Cc1c[nH]c2ccccc12,,,,0,0,0,0 | |
| 4267 CC=C1C2Cc3nc(O)ccc3C1(N)CC(=C2)C,0,0,0,0,,0,0 | |
| 4268 Cc1ccccc1C(=O)N,0,0,0,0,0,0,0 | |
| 4269 CCCCCCCOC(=O)c1ccc(O)cc1,,1,,,,1,1 | |
| 4270 OC(=O)CCCOc1ccc(Cl)cc1Cl,,0,0,,0,0,0 | |
| 4271 CN(C)C(=O)Nc1cccc(c1)C(F)(F)F,0,0,0,0,0,0,0 | |
| 4272 CC12CCC3C(CCc4cc(OC5CCCC5)ccc34)C1CCC2(O)C#C,1,1,1,0,,,1 | |
| 4273 CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CCC4(C)C3CCC12C,0,,,0,1,,1 | |
| 4274 OCC1OC(CC1O)N2C=C(C=CBr)C(=O)NC2=O,,,0,0,,,0 | |
| 4275 CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1,0,0,0,0,,0,0 | |
| 4276 CCCCCC(=O)OCCc1ccccc1,0,0,0,0,0,0,0 | |
| 4277 Sc1nnc(S)s1,0,0,0,0,0,0,0 | |
| 4278 CC12NC(Cc3ccccc13)c4ccccc24,0,,0,0,0,,0 | |
| 4279 OCCN(CCO)N=O,0,0,0,0,0,0,0 | |
| 4280 CC(CCCC(C)(C)O)CC=O,0,0,0,0,0,0,0 | |
| 4281 OC1C(COc2cc(O)ccc12)N3CCC(O)(CC3)c4ccc(F)cc4,1,1,0,1,,0,1 | |
| 4282 Cc1ccc2OC(=O)C=Cc2c1,,,0,,0,0,0 | |
| 4283 COCCOCCOCCO,0,0,0,0,0,0,0 | |
| 4284 CCCc1ccc(O)cc1,0,0,,0,0,0,0 | |
| 4285 c1ccc2cnccc2c1,0,0,0,0,,0,0 | |
| 4286 Cn1cnc2c(O)nc(N)nc12,0,0,0,0,0,0,0 | |
| 4287 Cn1c(O)c(N=NC(=S)N)c2ccccc12,,,1,,,1,1 | |
| 4288 C(C1CN2CCC1CC2)N3c4ccccc4Sc5ccccc35,0,,0,,0,,0 | |
| 4289 CCCCCCCCCCC=CC1CC(=O)OC1=O,1,,1,0,,0,1 | |
| 4290 CCCCC1(COC(=O)CCC(=O)O)C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,0,0,0,0,0,0,0 | |
| 4291 COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3,0,0,,0,0,1,1 | |
| 4292 [O-][N+](=O)c1ccc(Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)cc1,1,,1,,,1,1 | |
| 4293 CCOC(=O)C(Br)c1ccccc1,0,0,0,0,0,0,0 | |
| 4294 CC1COc2ccccc2N1,0,0,0,,0,0,0 | |
| 4295 CC12CCC3C(CCC4CC(=O)CCC34C)C1CC=C2,0,1,0,0,0,,1 | |
| 4296 CC1(C)SC2C(N3C(=O)C(NC3(C)C)c4ccccc4)C(=O)N2C1C(=O)O,0,,0,0,0,,0 | |
| 4297 CCOC(=O)Nc1on[n+](c1)N2CCOCC2,0,0,0,0,0,0,0 | |
| 4298 CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C,1,1,1,0,,0,1 | |
| 4299 CC(=O)Nc1ccc2c(Cc3cc(NC(=O)C)ccc23)c1,1,1,0,,0,0,1 | |
| 4300 CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,0,,0,0,,,0 | |
| 4301 CC(C)C(N)C(=O)OCCOCn1cnc2c(O)nc(N)nc12,0,0,0,0,0,0,0 | |
| 4302 CCCCCC,0,0,0,0,,0,0 | |
| 4303 CCCC(=O)C,0,0,,0,0,0,0 | |
| 4304 Nc1c2ccccc2nc3ccccc13,1,1,1,1,1,,1 | |
| 4305 CCOc1ccc(NC(=O)CC(=O)C)cc1,0,0,0,0,0,0,0 | |
| 4306 Oc1c(N=Nc2ccc(cc2)N=Nc3ccc(cc3)S(=O)(=O)O)c(cc4cc(NC(=O)c5ccccc5)ccc14)S(=O)(=O)O,,,0,,,0,0 | |
| 4307 CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c3ccccc3,,1,0,,,0,1 | |
| 4308 COc1c2CN(C)CCc2cc3OCOc13,0,0,0,0,0,0,0 | |
| 4309 [O-][N+](=O)c1cccc(c1)C(F)(F)F,0,0,0,0,0,0,0 | |
| 4310 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)c5cccc(c5)S(=O)(=O)O,1,1,1,1,0,,1 | |
| 4311 CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,0,1,0,,1,,1 | |
| 4312 OC(=O)c1ccc(Cl)c(Cl)c1,0,,0,0,0,0,0 | |
| 4313 CN1C(=O)NC(=O)C(C)(C2=CCCCC2)C1=O,0,0,0,0,0,0,0 | |
| 4314 Cc1cccc(O)c1,0,0,0,0,0,0,0 | |
| 4315 CCCCC=CCCCCO,0,0,0,0,0,0,0 | |
| 4316 CCCCCC(O)C#C,0,0,0,0,0,0,0 | |
| 4317 CC(CCCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,,,,0,0,,0 | |
| 4318 C[n+]1c2cc(N)ccc2cc3ccc(N)cc13,1,1,1,1,1,,1 | |
| 4319 OCc1ccccc1,0,0,0,0,0,0,0 | |
| 4320 CC1=CCC(CC1)C(C)(C)O,0,0,0,0,0,0,0 | |
| 4321 CCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 4322 ClCCCCl,0,0,0,0,0,0,0 | |
| 4323 CC1(C)C(N2C(CC2=O)S1(=O)=O)C(=O)O,1,,1,0,0,1,1 | |
| 4324 ClC1=C(Cl)C2(Cl)C(CBr)CC1(Cl)C2(Cl)Cl,0,0,0,0,,0,0 | |
| 4325 NCC1OC(OC2C(O)C(OC3C(O)C(N)CC(N)C3OC4OC(CO)C(O)C(O)C4N)OC2CO)C(N)C(O)C1O,0,,0,0,0,,0 | |
| 4326 OC(=O)c1ccc(O)c(O)c1,0,0,0,0,,0,0 | |
| 4327 COc1cc(ccc1O)C(=S)N2CCOCC2,0,,0,0,0,0,0 | |
| 4328 CN(C)c1ccc(Cc2ccc(cc2)N(C)C)cc1,,,,0,0,0,0 | |
| 4329 C1CCC(CC1)NSc2nc3ccccc3s2,,0,0,0,0,0,0 | |
| 4330 CC12Cc3cnoc3C=C1CCC4C2CCC5(C)C4CCC5(O)C#C,1,1,1,1,,,1 | |
| 4331 S=C1NC(=S)NC(=S)N1,0,0,0,0,0,0,0 | |
| 4332 ONC(=O)C1(CCOCC1)NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2,,1,0,0,0,0,1 | |
| 4333 CC(C)CON=O,0,0,0,0,0,0,0 | |
| 4334 Nc1ncnc2c1ncn2C3OC(COP(=O)(O)O)C(O)C3O,,0,,0,0,0,0 | |
| 4335 CCCCOCCOC(=O)CCCCCCCCC(=O)OCCOCCCC,0,0,0,0,0,0,0 | |
| 4336 COC(=O)C1CC(=O)C(CC1=O)C(=O)OC,0,0,0,0,0,0,0 | |
| 4337 CCC(C)(C)c1ccc(O)c(c1)C(C)(C)CC,,1,,,,,1 | |
| 4338 CCCCCCC(O)CO,0,0,0,,,0,0 | |
| 4339 CCCCCCCC,0,,0,,1,0,1 | |
| 4340 OC(=O)c1ccc2[nH]cc(CCCCN3CCC(=CC3)c4ccccc4)c2c1,0,0,0,0,0,,0 | |
| 4341 CC(C(=O)O)c1ccc2c(c1)[nH]c3ccc(Cl)cc23,0,0,0,0,0,,0 | |
| 4342 CCCCNc1ccc(cc1)C(=O)OCCN(C)C,0,,0,,,0,0 | |
| 4343 CN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c5ccc6OCOc6c5)C1=O,,,0,0,0,0,0 | |
| 4344 CC1OC(CC(N)C1O)OC2CC(O)(Cc3c(O)c4C(=O)c5cccc(O)c5C(=O)c4c(O)c23)C(=O)C,1,1,1,1,,1,1 | |
| 4345 CCCCOCCOCCOCCO,0,0,0,0,0,0,0 | |
| 4346 CC(=O)OC(C(=O)c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 4347 COc1ccc(CC=C)cc1OC,0,0,0,0,0,0,0 | |
| 4348 NC(=S)NCC=C,0,0,0,0,0,0,0 | |
| 4349 Nc1nc[nH]n1,0,0,0,0,0,0,0 | |
| 4350 Cc1c(Cn2ccnc2)c3ccccc3n1CCC(=O)O,0,0,0,0,0,0,0 | |
| 4351 CCN(CC)CCC(=O)N1c2ccccc2Sc3ccc(cc13)C(F)(F)F,,,,0,,,0 | |
| 4352 NC(=O)OCC(O)COc1ccc(Cl)cc1,0,,0,0,0,,0 | |
| 4353 COc1ccc(cc1)C(=O)N2CCCC2=O,0,0,0,0,0,0,0 | |
| 4354 CCOC(=O)c1ccc(OCCN2CC(O)C(O)C(O)C2CO)cc1,0,0,0,0,0,0,0 | |
| 4355 CCNC1CC(C)S(=O)(=O)c2sc(cc12)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 4356 CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2,0,0,0,0,,0,0 | |
| 4357 CC(C)Br,0,0,0,0,0,0,0 | |
| 4358 NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl,0,0,0,0,0,0,0 | |
| 4359 CC(C)N(CCC(c1ccccc1)c2cc(C)ccc2O)C(C)C,,0,0,0,,0,0 | |
| 4360 CC(O)COc1ccccc1,0,0,0,0,0,0,0 | |
| 4361 Sc1nc2ccccc2s1,,0,0,0,0,1,1 | |
| 4362 CCCCc1ccccc1,0,0,0,0,0,0,0 | |
| 4363 CCOP(=S)(S)OCC,0,0,0,0,0,0,0 | |
| 4364 CCCOc1ccc(cc1c2nc(O)c3nn(Cc4ccccn4)c(CC)c3n2)S(=O)(=O)N5CCN(CC)CC5,0,0,0,0,,,0 | |
| 4365 CC(C)(C)c1ccc(OP(=O)(Oc2ccccc2)Oc3ccccc3)cc1,,,0,0,,1,1 | |
| 4366 CC(=O)CC(=O)c1ccccc1,0,0,0,0,0,,0 | |
| 4367 Sc1ccccc1,0,0,0,0,0,0,0 | |
| 4368 CCNC(=O)C(C)OC(=O)Nc1ccccc1,0,0,0,0,0,0,0 | |
| 4369 CCCCCCOc1ccccc1C(=O)O,0,0,0,0,0,0,0 | |
| 4370 CC(=O)OC12COC1CC(O)C3(C)C2C(OC(=O)c4ccccc4)C5(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c6ccccc6)C(=C(C(O)C3=O)C5(C)C)C,1,,1,0,1,,1 | |
| 4371 N=C1NC(=O)N2CC12,1,,,0,0,,1 | |
| 4372 C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(c3ccccc3)c4ccccc4,0,0,0,0,0,0,0 | |
| 4373 CN(C)C=Nc1ccc(Cl)cc1C,0,0,0,0,0,0,0 | |
| 4374 O=C1C(C(=O)c2ccccc12)c3ccccc3,0,0,,0,0,0,0 | |
| 4375 Clc1ccc(NC(=O)C2CC2)cc1Cl,1,1,,0,1,0,1 | |
| 4376 COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1,0,0,0,0,0,0,0 | |
| 4377 CCCCCCCCCCCCN=C(N)N,,1,0,0,,0,1 | |
| 4378 Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1,0,0,0,,,,0 | |
| 4379 Oc1c(N=Nc2ccc(c3ccccc23)S(=O)(=O)O)c4ccc(cc4cc1S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,,0 | |
| 4380 Oc1cccc(CC2COC(=O)C2Cc3cccc(O)c3)c1,0,,0,0,0,0,0 | |
| 4381 CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)COP(=O)(O)O)C4(C)CC(O)C23,1,,1,1,0,,1 | |
| 4382 NC(C(=O)NC1C2CCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3,1,,1,1,0,,1 | |
| 4383 CN(C)CCOC(=O)c1ccc2c(c1)c(C)c(C)n2Cc3ccccc3,,0,,0,,,0 | |
| 4384 c1cnccn1,0,0,0,0,0,0,0 | |
| 4385 CCCCCCCCCCCCCCCCCC(=O)O,0,0,0,0,0,0,0 | |
| 4386 Cc1ccc(C)c(O)c1,0,0,0,0,0,0,0 | |
| 4387 COC1=CC(=O)OC(=C1)C=Cc2ccc(OC)cc2,1,1,0,,0,0,1 | |
| 4388 CCCCCCCCC=CCCCOC(=O)C,0,0,0,0,0,0,0 | |
| 4389 CN(C)CCCNC(=O)C(=C)C,0,0,0,0,,0,0 | |
| 4390 CCCCCCCCCCCCc1ccccc1,0,0,0,0,0,0,0 | |
| 4391 CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(=O)O,0,0,0,0,0,,0 | |
| 4392 NNC(=O)c1cccc(c1)C(=O)NN,,0,0,0,,0,0 | |
| 4393 Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(F)c(Cl)c2F,0,0,0,0,0,0,0 | |
| 4394 CC(C)CCOC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 4395 NS(=O)(=O)c1ccc(cc1)C(=O)O,0,0,0,0,0,0,0 | |
| 4396 CCOC(=O)CCl,0,0,0,0,0,0,0 | |
| 4397 COc1cc(C)cc(O)c1,0,,0,0,0,0,0 | |
| 4398 CCCOC(=O)NCCCN(C)C,0,0,0,0,0,0,0 | |
| 4399 CNc1ccc(cc1)C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(CC(OC4OC(C)C(O)C(N)C4O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)C(=O)OC,0,,0,0,,,0 | |
| 4400 CC(C)C(=O)OC(C)(CCC=C(C)C)C=C,0,0,0,0,0,0,0 | |
| 4401 CCCCCCCCCCCC(=O)OCC,0,0,0,0,0,0,0 | |
| 4402 CC=CC(=O)Oc1c(CCCCCC(C)C)cc(cc1[N+](=O)[O-])[N+](=O)[O-],,1,,,1,,1 | |
| 4403 Cc1cc(CC(=O)O)n(C)c1C(=O)c2ccc(Cl)cc2,0,0,0,0,0,,0 | |
| 4404 OC(COc1cccc(c1)C(F)(F)F)C=CC2C(O)CC(O)C2CC=CCCCC(=O)O,0,,0,,0,,0 | |
| 4405 Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C,0,0,0,0,0,0,0 | |
| 4406 Cc1cc(Nc2ccc(O)cc2)ccc1N,,,1,,,,1 | |
| 4407 FC(F)(F)c1ccc(Cl)cc1Cl,0,0,0,,0,0,0 | |
| 4408 C(Oc1cccc(OCC2CO2)c1)C3CO3,,,,,,1,1 | |
| 4409 CCC1=CC2CN(C1)Cc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C)C7C(O)(C(OC(=O)C)C8(CC)C=CCN9CCC67C89)C(=O)OC,1,,1,0,,,1 | |
| 4410 CC(C)c1cc2CCC3C(C)(CCCC3(C)c2cc1S(=O)(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 4411 COc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,,,0,,,0,0 | |
| 4412 CC(=O)OC1CCC(CC1)C(C)(C)C,0,0,0,0,0,0,0 | |
| 4413 Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+](=O)[O-],,1,1,0,,,1 | |
| 4414 CC(=O)NC(CCC(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 4415 CC(N)Cc1ccc2OCOc2c1,,,0,0,0,,0 | |
| 4416 OC(CNCCCCCCNCC(O)c1ccc(O)c(O)c1)c2ccc(O)c(O)c2,0,0,0,0,,0,0 | |
| 4417 COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2,0,0,0,0,0,0,0 | |
| 4418 CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c2ccccc2,0,,0,0,,,0 | |
| 4419 CN1CCN(CC1)c2c(F)cc3C(=O)C(=CN4CCSc2c34)C(=O)O,0,0,0,0,0,0,0 | |
| 4420 CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO,0,0,,,0,,0 | |
| 4421 CC(C)C1=C(CN(C)C(C)Cc2ccccc2)N(C)N(C1=O)c3ccccc3,0,0,0,0,,,0 | |
| 4422 CN1C2CCCC1CC(C2)NC(=O)c3nn(C)c4ccccc34,0,,0,0,,,0 | |
| 4423 CCC1(NC(=O)N(C)C1=O)c2ccccc2,0,0,0,0,0,0,0 | |
| 4424 COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC,1,,0,0,,,1 | |
| 4425 CC(C)(CO)C(O)C(=O)NCCCC(=O)O,0,,0,0,0,,0 | |
| 4426 O=C1CCC(CC1)C2CCCCC2,0,0,0,0,0,,0 | |
| 4427 OC1(CCCCC1)C#N,0,0,0,0,0,0,0 | |
| 4428 Cn1nnnc1SCC2=C(N3C(SC2)C(NC(=O)C(O)c4ccccc4)C3=O)C(=O)O,0,,0,0,0,,0 | |
| 4429 CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl,0,0,0,0,,0,0 | |
| 4430 Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br,0,0,0,0,0,0,0 | |
| 4431 ClC1CCCCC1=O,0,0,0,0,0,0,0 | |
| 4432 OCCCCCCCCC=C,0,0,0,0,0,0,0 | |
| 4433 OC(=O)c1ccc[n+]([O-])c1,0,0,0,0,0,0,0 | |
| 4434 CCC(CO)(COCC=C)COCC=C,0,0,0,0,0,0,0 | |
| 4435 CCCCCC(=Cc1ccccc1)CO,,0,0,,,0,0 | |
| 4436 CCCCCCCCCCC=C,0,0,0,,0,0,0 | |
| 4437 CCCCCCCCCCCCCCCl,0,0,0,0,,0,0 | |
| 4438 CC(O)CN(CCCN(C)C)CCCN(C)C,0,0,0,0,0,0,0 | |
| 4439 CC1(C)C(=CC=CC=CC=CC2=[N+](CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)N(CCCCS(=O)(=O)O)c5ccc6ccccc6c15,1,,,0,,,1 | |
| 4440 CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1,1,1,0,,0,0,1 | |
| 4441 OC(=O)CCCl,,0,0,0,0,,0 | |
| 4442 CNCC1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1,0,,0,0,0,,0 | |
| 4443 [O-][N+](=O)c1ccc2[nH]cnc2c1,0,0,0,0,0,0,0 | |
| 4444 C1CCCCCCCCCCC1,,0,0,0,0,0,0 | |
| 4445 O=Nc1ccc(Nc2ccccc2)cc1,,1,,,,1,1 | |
| 4446 CCOc1ccc(NC(=Nc2ccc(OCC)cc2)C)cc1,0,,0,0,0,,0 | |
| 4447 OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)[N+](=O)[O-],1,,1,1,,1,1 | |
| 4448 CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12,0,0,0,0,0,0,0 | |
| 4449 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,0,0,0,0,0,0,0 | |
| 4450 CCCCCC(=O)OCCC=CCC,0,0,0,0,0,0,0 | |
| 4451 CC1(C)C(C=C2CCSC2=O)C1C(=O)OCc3coc(Cc4ccccc4)c3,1,1,1,0,,1,1 | |
| 4452 CCC(=O)c1c(O)cc(O)cc1O,0,0,0,0,0,0,0 | |
| 4453 CCOP(=S)(OCC)SCCSCC,0,0,0,0,0,0,0 | |
| 4454 CC(=CCOC(=O)c1ccccc1)C,0,0,0,0,0,0,0 | |
| 4455 NP(=O)(N)NC(=O)c1ccc(F)cc1,,0,0,0,0,0,0 | |
| 4456 CCC(c1ccccc1)c2noc(CCN(CC)CC)n2,0,,0,0,0,,0 | |
| 4457 CC(C)(C)NCCO,0,0,0,0,0,0,0 | |
| 4458 CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1,0,,0,0,0,0,0 | |
| 4459 c1ccc(nc1)c2ccccn2,,0,0,0,0,0,0 | |
| 4460 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)C4NC(COCCOC)OC(C4C)C1(C)O,0,,0,0,0,,0 | |
| 4461 COP(=O)(OC)OC(=CC(=O)N(C)C)C,0,0,0,0,0,0,0 | |
| 4462 CCC1(CO)COCOC1,0,0,0,0,0,0,0 | |
| 4463 CC(=C)OC(=O)C,0,0,0,0,0,0,0 | |
| 4464 [O-][N+](=O)c1ccc(F)cc1F,0,0,0,0,0,0,0 | |
| 4465 COc1c(Br)cc(Br)c(C)c1Br,0,,0,0,,0,0 | |
| 4466 CCC(O)c1ccccc1,0,,0,0,0,,0 | |
| 4467 Cc1ccc2c(Cl)cc(Cl)c(O)c2n1,1,1,,,,1,1 | |
| 4468 COc1ccc2CC3C4CCC(O)C5Oc1c2C45CCN3C,0,0,0,0,0,0,0 | |
| 4469 CCN(CC)C(=O)C1(CC1CN)c2ccccc2,0,,0,0,0,,0 | |
| 4470 COC(=C1C(C(=C(C)N=C1C)C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c3ccccc3)c4cccc(c4)[N+](=O)[O-])O,1,1,1,1,,0,1 | |
| 4471 CC(C)CCCC(C)CCO,0,0,0,0,0,0,0 | |
| 4472 CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,0,0,0,0,0,0,0 | |
| 4473 CCCN1C(=O)NC(=O)c2[nH]cnc12,0,,0,0,0,,0 | |
| 4474 CC(C)c1ccccc1C(C)C,0,0,,0,,0,0 | |
| 4475 CC(C)(C)NC(=O)C1CCC2C3CC=C4C=C(CCC4(C)C3CCC12C)C(=O)O,0,,,0,0,,0 | |
| 4476 CN1CCCCC1C(=O)Nc2c(C)cccc2C,0,,0,0,0,,0 | |
| 4477 NCC1OC(OC2C(O)C(OC3C(O)C(N)CC(N)C3OC4OC(CN)C(O)C(O)C4N)OC2CO)C(N)C(O)C1O,0,,0,0,0,,0 | |
| 4478 Cc1ccc2ccc3cccc4ccc1c2c34,0,,0,0,0,0,0 | |
| 4479 CC1=NN(C(=O)N1C(F)F)c2cc(NS(=O)(=O)C)c(Cl)cc2Cl,0,0,0,0,0,,0 | |
| 4480 CCOc1ccc(NC(=C)Nc2ccc(OCC)cc2)cc1,0,,0,0,0,,0 | |
| 4481 C1C=Cc2ccccc12,0,0,,0,0,0,0 | |
| 4482 CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C,,1,1,,,,1 | |
| 4483 CC(=O)OC1CC(CC=C1C)C(=C)C,0,0,0,0,0,0,0 | |
| 4484 CC(=O)NC(CS)C(=O)O,0,0,0,0,0,0,0 | |
| 4485 CCCCOC(=O)CCCCCCCCC(=O)OCCCC,0,0,0,0,0,0,0 | |
| 4486 Cc1ccc2ccccc2c1[N+](=O)[O-],0,0,0,,,0,0 | |
| 4487 CN(C)CCN(Cc1ccccc1)c2ccccn2,0,0,0,0,0,0,0 | |
| 4488 CCNc1nc(NC(C)C)nc(OC)n1,0,0,0,0,0,0,0 | |
| 4489 CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(O)CC3CC(OC(=O)C)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(O4)C=CC(C)(C)C1(O)O2)O3)C(C)O,,,,0,,,0 | |
| 4490 CC(COC(=O)C)OC(=O)C,0,0,0,0,0,0,0 | |
| 4491 Oc1ncc(N(CCCl)CCCl)c(O)n1,0,,0,0,0,,0 | |
| 4492 COc1ccc2c(c1)C(=O)N(CCc3ccc(cc3)S(=O)(=O)NC(=O)NC4CCCCC4)C(=O)C2(C)C,0,,0,0,0,1,1 | |
| 4493 Nc1ccc(N)c(Cl)c1,,,0,,,0,0 | |
| 4494 CN(C)c1ccc(cc1)N=Nc2cccc(C)c2,1,1,0,1,,,1 | |
| 4495 C1C[n+]2ccccc2c3cccc[n+]13,1,,0,0,0,0,1 | |
| 4496 C1CC=CCCC=C1,0,0,0,0,0,0,0 | |
| 4497 CCOP(=S)(OCC)SCSc1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 4498 CCC(C)C1OC2(CC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(NC)C(C)O5)C(C)O4)C(C)C=CC=C6COC7C(O)C(=CC(C(=O)O3)C67O)C)O2)C=CC1C,1,1,,,,,1 | |
| 4499 ClC(Cl)(Cl)C(Cl)(Cl)Cl,,0,0,0,0,0,0 | |
| 4500 CNC1CCC(c2ccc(Cl)c(Cl)c2)c3ccc(cc13)S(=O)(=O)N,1,1,,,,,1 | |
| 4501 CN(CCCl)CCCl,1,1,1,,,0,1 | |
| 4502 CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc4ccccc4,,,0,0,,,0 | |
| 4503 OC(=O)CC[N+](=O)[O-],,0,0,0,0,0,0 | |
| 4504 ClP(=O)(Oc1ccccc1)Oc2ccccc2,,0,0,0,,0,0 | |
| 4505 O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4,0,0,,0,0,0,0 | |
| 4506 CN(C)CCc1c[nH]c2cccc(O)c12,,1,0,0,,0,1 | |
| 4507 NC(Cc1ccc(O)c(O)c1)C(=O)O,1,,0,0,0,,1 | |
| 4508 COC(=C1C(C(=C(C)N=C1C)C(=O)OCC(=O)C)c2ccccc2[N+](=O)[O-])O,,,1,,,,1 | |
| 4509 CC1CC(CC(C)(C)N1C)OC(=O)C(O)c2ccccc2,,1,0,0,,0,1 | |
| 4510 CCC1CCC(NCc2cc3N(C)C(=O)C4CC4c3cc2OC)C(N1)c5ccccc5,1,,0,,,,1 | |
| 4511 Cc1cc(N)n(n1)c2ccccc2,,1,0,,0,0,1 | |
| 4512 OC(=O)C(CC(=O)N1CC2CCCCC2C1)Cc3ccccc3,0,,0,0,0,,0 | |
| 4513 O=[P+](Oc1ccccc1)Oc2ccccc2,0,0,0,0,0,0,0 | |
| 4514 CCC(=CC)C(=O)NC(=O)N,0,,0,0,0,,0 | |
| 4515 CC(CC=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 4516 CC1CC(CC(C)(C)C1)OC(=O)C(O)c2ccccc2,1,,1,0,,,1 | |
| 4517 OCC[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 4518 CCCCc1cc2ccccc2c(OCCN(C)C)n1,,0,1,0,,0,1 | |
| 4519 NC(=N)n1cccn1,0,,0,0,0,,0 | |
| 4520 NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(OC3OC(CO)C(O)C3O)C1O,,,0,0,0,,0 | |
| 4521 ClCOCCl,0,0,0,0,0,0,0 | |
| 4522 CC(=O)Oc1ccc(cc1)C2(C(=O)Nc3ccccc23)c4ccc(OC(=O)C)cc4,1,1,1,1,1,,1 | |
| 4523 CN1C(=O)c2ccc(cc2C1=O)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 4524 CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 4525 C(Cc1ccc2OCOc2c1)N3CCCC(C3)OC(c4ccccc4)c5ccccc5,0,0,0,0,,,0 | |
| 4526 CCC(C)(C)CC,0,0,,0,0,0,0 | |
| 4527 CCCCCCCCCCCCCCCC(=O)OC(C)C,0,0,0,0,0,0,0 | |
| 4528 O(P(Oc1ccccc1)Oc2ccccc2)c3ccccc3,0,0,0,0,0,0,0 | |
| 4529 FC(F)(F)c1cccc(c1)C2=CCN(CCc3ccc4ccccc4c3)CC2,0,0,0,0,,,0 | |
| 4530 CC(C)(C)c1ccc2c(c(ccc2c1)C(C)(C)C)S(=O)(=O)O,,,0,0,0,1,1 | |
| 4531 Nc1c(Br)cc(Br)c2C(=O)c3ccccc3C(=O)c12,0,0,0,0,0,0,0 | |
| 4532 COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C,0,,0,0,0,,0 | |
| 4533 CC(C)C1CCC(Cc2ccc(Cl)cc2)C1(O)Cn3cncn3,1,1,,1,,,1 | |
| 4534 CCCCCCCCCCCCCCCCC,0,0,0,0,0,0,0 | |
| 4535 Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,0,0,0,0,,0,0 | |
| 4536 O=C1NC(=O)C(=O)C(=O)N1,0,0,0,0,0,0,0 | |
| 4537 CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC,0,0,0,0,,0,0 | |
| 4538 CN(C)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,,0,1,0,,0,1 | |
| 4539 Cc1cc(O)ccc1N,,,,,,0,0 | |
| 4540 COP(=O)(NC(=O)C)SC,0,0,0,0,0,0,0 | |
| 4541 CC(O)CN(CC(C)O)CC(C)O,0,0,0,0,0,0,0 | |
| 4542 Nc1ccc(cc1N)[N+](=O)[O-],,,0,0,,0,0 | |
| 4543 Oc1ccccc1[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 4544 OC(=O)c1ccccc1C(c2ccc(O)cc2)c3ccc(O)cc3,0,0,0,0,0,0,0 | |
| 4545 COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N,0,,0,0,0,,0 | |
| 4546 CN1C(=O)N(C)c2[nH]cnc2C1=O,0,0,0,0,,0,0 | |
| 4547 ClC(=O)c1cc(cc(c1)C(=O)Cl)C(=O)Cl,0,0,0,,,0,0 | |
| 4548 CC(N)(Cc1ccc(O)cc1)C(=O)O,0,0,0,0,0,0,0 | |
| 4549 NC(=O)c1ccc(N)cc1,0,0,0,,0,0,0 | |
| 4550 CN(C)CCC=C1c2ccccc2C=Cc3ccccc13,0,,0,0,,,0 | |
| 4551 CN1C(=O)N(C)c2ncn(CC3OCCO3)c2C1=O,0,0,0,0,0,0,0 | |
| 4552 Cc1nccn1c2ccc(Sc3cccc(c3)C4(CCOCC4)C(=O)N)cc2,1,1,,1,1,,1 | |
| 4553 OC(=O)c1ccccc1S,0,0,0,0,0,0,0 | |
| 4554 CCCCCCC(=O)OCC=C,0,0,0,0,0,0,0 | |
| 4555 Clc1ccc(s1)C(=O)NCC2CN(C(=O)O2)c3ccc(cc3)N4CCOCC4=O,,1,,,,,1 | |
| 4556 Oc1cccc2cc3cccc(O)c3c(O)c12,0,0,0,0,0,0,0 | |
| 4557 CN1C2CCC1CC(C2)OC(=O)c3cc(Cl)cc(Cl)c3,0,0,0,0,,,0 | |
| 4558 C[N+](C)(C)CCOC(=O)N,,0,0,0,0,,0 | |
| 4559 CCCCCCC=CCCCCCCCC(=O)O,,0,0,0,0,1,1 | |
| 4560 O=C1CCCCCCCCCCC1,0,0,0,0,0,0,0 | |
| 4561 ClC1(Cl)CS(=O)(=O)CC1(Cl)Cl,1,1,,,,1,1 | |
| 4562 COCC(N1CCN(CC1C)C2(C)CCN(CC2)C(=O)c3c(C)ncnc3C)c4ccc(cc4)C(F)(F)F,0,0,0,0,0,0,0 | |
| 4563 Oc1oc(nn1)c2oc(cc2)[N+](=O)[O-],,,0,0,0,0,0 | |
| 4564 CC(=O)Oc1cccc(O)c1,0,,0,0,0,0,0 | |
| 4565 COc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,,0,0,,,0,0 | |
| 4566 CC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 4567 CC(=CC=CC(=CC(=O)Nc1ccc(O)cc1)C)C=CC2=C(C)CCCC2(C)C,1,1,,,,,1 | |
| 4568 CCC1COC(=O)O1,0,0,0,0,0,0,0 | |
| 4569 CCCCCCCCC=CCCCCCCCC(=O)OCC,0,0,0,0,0,0,0 | |
| 4570 Cc1cc(CC(=O)O)c(C)n1c2ccc(Cl)cc2,0,0,,0,,1,1 | |
| 4571 ClC1C2OC2C3C1C4(Cl)C(=C(Cl)C3(Cl)C4(Cl)Cl)Cl,,0,,,,,0 | |
| 4572 CC12CCC3C(CCC4=CCCCC34)C1CCC2(O)C#C,1,1,1,0,,0,1 | |
| 4573 Oc1ncc(F)c(O)n1,0,,0,0,1,0,1 | |
| 4574 Sc1nc2ccccc2[nH]1,0,0,0,,0,0,0 | |
| 4575 ON1C=C[N+](=O)c2ccccc12,0,,0,0,0,,0 | |
| 4576 COC(=O)CCS,0,0,0,0,0,0,0 | |
| 4577 Oc1ccc(cc1)N=O,0,0,0,0,0,0,0 | |
| 4578 CCCCCCCCCBr,0,0,0,0,0,0,0 | |
| 4579 Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,0,0,0,0,0,0,0 | |
| 4580 [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccccc2,1,1,1,0,,1,1 | |
| 4581 CCCC1C(=O)N2N(C1=O)c3cc(C)ccc3N=C2N(C)C,0,1,0,1,0,,1 | |
| 4582 CCCCCCCCS(=O)(=O)O,0,0,0,0,,0,0 | |
| 4583 CN(C)Cc1ccccc1,0,0,0,0,0,0,0 | |
| 4584 CCN1CCN(C(=O)NC(C(=O)NC2C3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O,0,,0,0,0,0,0 | |
| 4585 CC(C)C1CCC(C)CC1OC(=O)c2ccccc2N,0,1,,0,,,1 | |
| 4586 NC(CCC(=O)N)C(=O)O,,,,0,0,0,0 | |
| 4587 CC(=O)c1cc(C)oc1C,,0,0,0,,0,0 | |
| 4588 COC(=O)C=CC(=O)OC,0,0,,0,0,,0 | |
| 4589 CC1CCCCN1CCCOC(=O)c2ccccc2,0,,0,0,0,,0 | |
| 4590 CCCCCCCCCCCCCCCC(=O)NCCO,0,0,0,0,0,0,0 | |
| 4591 c1ccc2ccccc2c1,0,0,0,0,0,0,0 | |
| 4592 Fc1ccc(C(=O)NS(=O)(=O)C=Cc2ccccc2)c(Cl)c1,1,1,1,,0,,1 | |
| 4593 OCCOCCN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,0,,0,0,,,0 | |
| 4594 CCOC(=O)c1ccc(NC(=O)CN2CCCCC2)cc1,,1,0,1,0,0,1 | |
| 4595 CCC(OCCCOC)OC(=O)C,0,0,0,0,0,0,0 | |
| 4596 CC(C)(C)c1ccc(O)c(O)c1,1,1,1,,,1,1 | |
| 4597 Nc1cc(Cl)c(cc1Cl)c2cc(Cl)c(N)cc2Cl,,1,,1,1,,1 | |
| 4598 CCCCC(O)(Cn1cncn1)c2ccc(Cl)cc2Cl,1,1,,,,,1 | |
| 4599 CCc1nc(C)c[nH]1,0,0,0,0,0,0,0 | |
| 4600 CCC(=O)OC(C)(C)C1CCC(=CC1)C,0,,0,0,0,0,0 | |
| 4601 CC=C(C)C(=O)OCCC(C)CCC=C(C)C,0,0,0,0,0,0,0 | |
| 4602 CN(C)CCCNCCCN,0,,0,0,0,0,0 | |
| 4603 C[N+]1(CC2COC(O2)(c3ccccc3)c4ccccc4)CCCCC1,0,0,,0,0,0,0 | |
| 4604 CC1(C)OC2CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)CCl,,,1,1,0,0,1 | |
| 4605 NC(=S)N,0,0,0,0,0,0,0 | |
| 4606 Oc1cccc(O)c1O,,1,1,0,0,0,1 | |
| 4607 COc1c(N2CCNC(C)C2)c(F)cc3C(=O)C(=CN(C4CC4)c13)C(=O)O,,0,0,0,0,0,0 | |
| 4608 CC(C)c1nnc(C)n1C2CC3CCC(C2)N3CCC(NC(=O)C4CCC(F)(F)CC4)c5ccccc5,0,,0,0,0,,0 | |
| 4609 CC(C)(C)OO,0,0,,0,0,0,0 | |
| 4610 CCN1CCCC(C1)OC(=O)C(c2ccccc2)c3ccccc3,0,0,0,0,,0,0 | |
| 4611 CCCCCCCCN,0,0,0,0,0,0,0 | |
| 4612 COC1CC(CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC)CCC1O,1,1,,1,,,1 | |
| 4613 CSc1ccc(C=O)cc1,0,0,0,0,0,0,0 | |
| 4614 CCCCC1CN(CC2CCOCC2)C(=O)OC13CCN(CC3)C4(C)CCN(CC4)C(=O)c5c(C)ncnc5C,0,0,0,0,0,0,0 | |
| 4615 OC1COC2C(O)COC12,0,0,0,0,0,0,0 | |
| 4616 CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C,1,1,0,0,1,,1 | |
| 4617 CCCCCCCCCCCCCCCCCl,0,0,0,0,0,0,0 | |
| 4618 COC(=O)CC(=O)C,0,0,0,0,0,0,0 | |
| 4619 CCCc1c(O)c(ccc1OCCCOc2ccc(OCC(=O)O)cc2)C(=O)C,,,,,,1,1 | |
| 4620 CC(C)CC1NC(=O)C(CCCN)NC(=O)C(NC(=O)C2CCCN2C(=O)C(Cc3ccccc3)NC(=O)C(CC(C)C)NC(=O)C(CCCN)NC(=O)C(NC(=O)C4CCCN4C(=O)C(Cc5ccccc5)NC1=O)C(C)C)C(C)C,1,,1,,,1,1 | |
| 4621 CC(O)CCCCN1C(=O)N(C)c2ncn(C)c2C1=O,0,0,0,0,0,0,0 | |
| 4622 CCCC1N(C=C(CC)C=C1CC)c2ccccc2,,1,1,,1,0,1 | |
| 4623 COC(=O)c1ccc(C=O)cc1,0,0,0,,0,0,0 | |
| 4624 CCOC(=O)COC(=O)c1ccccc1C(=O)OCC,0,0,0,0,0,0,0 | |
| 4625 O=C1C2=C(SC(=C(S2)C#N)C#N)C(=O)c3ccccc13,1,,,,,,1 | |
| 4626 CCCCCCC=CC=O,0,,,0,0,,0 | |
| 4627 Cc1[nH]cnc1CC2CCc3c(C)c4ccccc4n3C2=O,1,1,0,0,,,1 | |
| 4628 OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O,0,0,0,0,0,0,0 | |
| 4629 C[S+](CCC(N)C(=O)O)CC1OC(C(O)C1O)n2cnc3c(N)ncnc23,0,,0,0,0,,0 | |
| 4630 CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC,,,0,0,0,,0 | |
| 4631 Clc1ccc2Sc3ccccc3N(CCCN4CCC5(CC4)NC(=O)CS5)c2c1,,,,,,1,1 | |
| 4632 Cc1nc(N)nc(N)c1c2ccc(Cl)c(Cl)c2,,1,,,,,1 | |
| 4633 CCC(=O)N(C1CCN(CCc2cccs2)CC1)c3ccccc3,0,1,0,0,,0,1 | |
| 4634 C=CCCCCCCC=C,,,0,,0,0,0 | |
| 4635 [O-][N+](=O)c1cccc2cccnc12,0,0,0,0,0,0,0 | |
| 4636 CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12,0,0,0,0,0,0,0 | |
| 4637 COc1cc(ccc1N)[N+](=O)[O-],0,1,0,,0,0,1 | |
| 4638 COc1ccc(C=NNC(=O)c2ccncc2)c(C(=O)O)c1OC,0,,0,0,,,0 | |
| 4639 FC1(F)CC(C#N)N(C1)C(=O)CNC2CC3CCC(C2)N3c4ncccn4,0,,0,0,0,0,0 | |
| 4640 COc1nc(NC(C)C)nc(NC(C)C)n1,0,0,0,0,0,0,0 | |
| 4641 CCOC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 4642 CC(=O)NC1C(NC(=N)N)C=C(OC1C(O)C(O)CO)C(=O)O,0,0,0,0,0,0,0 | |
| 4643 CCCCCC=CC=CC=O,0,,,0,0,,0 | |
| 4644 CCN1C(Nc2ccc(OCCN3CCCCC3)cc2)c4ccccc4C1=O,0,,0,0,0,0,0 | |
| 4645 COC1=CC(=O)OC(C1)C=Cc2ccccc2,1,,0,1,0,0,1 | |
| 4646 COc1cc(C)ccc1C(C)C,0,0,0,0,0,0,0 | |
| 4647 CC(Cl)C(Cl)Cl,0,0,0,0,0,0,0 | |
| 4648 CCC(CO)(CO)COCC(CC)(CO)CO,0,0,0,0,0,0,0 | |
| 4649 OC(=O)Cc1ccc(OCC=C)c(Cl)c1,,1,0,0,0,1,1 | |
| 4650 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1,0,0,0,0,0,0,0 | |
| 4651 CN(C)CCC=C1c2ccccc2CSc3ccccc13,0,,0,0,,,0 | |
| 4652 CNC1C(O)C2OC(OC3C(N)CC(N)C(O)C3O)C(N)CC2OC1OC4OC(CO)C(N)C(O)C4O,0,,0,0,0,,0 | |
| 4653 CC1=C(C(=O)NCCO)[N+](=O)c2ccccc2N1O,0,0,0,0,0,0,0 | |
| 4654 Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2,,0,0,0,0,0,0 | |
| 4655 CN1C(=O)N(C)c2ncn(CCO)c2C1=O,0,0,0,0,0,0,0 | |
| 4656 O=C1N(CCc2noc(n2)c3ccc(CN4CCCCCC4)s3)C(=O)c5ccccc15,,1,,0,,0,1 | |
| 4657 CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O,0,0,0,0,0,0,0 | |
| 4658 OC(=O)CNC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 4659 CC(C)C(=O)OCCc1ccccc1,0,0,0,0,0,0,0 | |
| 4660 COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)O)n1,0,0,0,0,0,0,0 | |
| 4661 CC(C)CC(=O)CC(C)C,0,0,0,0,0,0,0 | |
| 4662 CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2cccc(Oc3ccccc3)c2,0,0,0,0,0,0,0 | |
| 4663 OS(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC2CCCCC2,0,0,0,0,,0,0 | |
| 4664 CCCSSCC=C,,,0,0,0,0,0 | |
| 4665 [O-][N+](=O)NC1=NCCN1Cc2ccc(Cl)nc2,0,0,0,0,0,0,0 | |
| 4666 C[N+](C)(C)CC(O)CCl,0,,0,0,0,0,0 | |
| 4667 OCC1OC2OC3C(O)C(O)C(OC3CO)OC4C(O)C(O)C(OC4CO)OC5C(O)C(O)C(OC5CO)OC6C(O)C(O)C(OC6CO)OC7C(O)C(O)C(OC7CO)OC1C(O)C2O,0,0,0,0,0,0,0 | |
| 4668 Nc1n[nH]c(N)n1,0,0,0,0,0,0,0 | |
| 4669 Nc1ccc(C=Cc2ccc(N)cc2S(=O)(=O)O)c(c1)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 4670 Oc1ccc2ccccc2c1N=Nc3ccc(cc3)S(=O)(=O)O,,,0,,,0,0 | |
| 4671 CC(=O)OC1CC2CCC3C(CCC4(C)C3CC(C4OC(=O)C)[N+]5(C)CCCCC5)C2(C)CC1N6CCCCC6,0,0,0,0,0,0,0 | |
| 4672 NS(=O)(=O)c1ccc(Cl)c(c1)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 4673 CCCCCc1cc(O)c2c(OC(C)(C)c3ccc(C)cc23)c1,1,1,,,,,1 | |
| 4674 CC12CCC(C1)C(C)(C)C2O,0,0,0,0,0,0,0 | |
| 4675 Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1,,1,1,,,,1 | |
| 4676 Cc1cc2OCOc2cc1CC(=O)c3sccc3S(=O)(=O)Nc4onc(C)c4Cl,,,,,,1,1 | |
| 4677 CN1CCOC(c2ccccc2)c3ccccc3C1,0,0,0,0,0,0,0 | |
| 4678 CC(CN)CCCN,0,0,0,0,0,0,0 | |
| 4679 CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,0,0,,0,0,0,0 | |
| 4680 CCCc1nc2c(C)cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C,1,,,0,,1,1 | |
| 4681 CN(C)C1C2C(O)C3C(=C)c4c(Cl)ccc(O)c4C(=C3C(=O)C2(O)C(=C(C(=O)N)C1=O)O)O,,,,0,0,,0 | |
| 4682 CCOC(=O)OC1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)C(=O)OCCl,1,1,1,1,,1,1 | |
| 4683 Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],1,1,1,0,,1,1 | |
| 4684 COc1cc(c(C)cc1N=Nc2c(O)ccc3cc(ccc23)S(=O)(=O)O)S(=O)(=O)O,,,0,,,0,0 | |
| 4685 CCCCC=CC=CC=O,,0,1,0,1,,1 | |
| 4686 CN1CCCC1CCOC(C)(c2ccccc2)c3ccc(Cl)cc3,,0,0,0,,,0 | |
| 4687 CCCc1ccc(O)c(OC)c1,0,0,0,0,0,0,0 | |
| 4688 Clc1ccc(cc1)C(=O)NCCN2CCOCC2,,0,0,0,0,0,0 | |
| 4689 CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,0,0,0,0,0,0,0 | |
| 4690 Nc1ccc(cc1)C(=O)NCC(=O)O,0,0,0,0,0,0,0 | |
| 4691 CCOc1ccccc1C(=O)N,0,0,0,0,0,0,0 | |
| 4692 CCCC(C)(COC(=O)N)COC(=O)NC(C)C,0,0,0,0,0,0,0 | |
| 4693 OC(CCC1C(N(C1=O)c2ccc(F)cc2)c3ccc(O)cc3)c4ccc(F)cc4,,0,0,0,1,1,1 | |
| 4694 c1ccc2c(c1)ccc3ccccc23,0,0,0,0,,0,0 | |
| 4695 Nc1ccc(Cl)cc1[N+](=O)[O-],0,0,,0,0,0,0 | |
| 4696 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C(CN(C)C2=O)C(=O)O,0,0,0,0,0,0,0 | |
| 4697 [O-][n+]1ccccc1S,1,1,,,,1,1 | |
| 4698 COc1cc(cc(OC)c1OC)C(=S)N2CCOCC2,0,0,0,0,0,0,0 | |
| 4699 Nc1ccc(cc1)C(=O)Nc2ccccc2N,1,1,1,1,,1,1 | |
| 4700 NC1=NC(=N)c2ccccc12,1,,,,,,1 | |
| 4701 CCON=C(CC)C1=C(O)CC(CC1=O)c2c(C)cc(C)cc2C,,,0,0,,0,0 | |
| 4702 CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34,1,,0,0,0,,1 | |
| 4703 C(Oc1ccc(cc1)C(C(c2ccc(OCC3CO3)cc2)c4ccc(OCC5CO5)cc4)c6ccc(OCC7CO7)cc6)C8CO8,,1,0,1,,0,1 | |
| 4704 CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I,1,,1,1,0,0,1 | |
| 4705 Clc1ccc(cc1)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl,1,1,0,1,,1,1 | |
| 4706 CCN(CC)CCSC(=O)C(c1ccccc1)c2ccccc2,0,1,1,0,,1,1 | |
| 4707 O=C(NCCc1c[nH]c2ccccc12)c3cccnc3,,0,0,1,0,0,1 | |
| 4708 COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4,,,,,,0,0 | |
| 4709 C[N+](C)(CC=C)CC=C,0,0,0,0,0,0,0 | |
| 4710 CC(C)COC(=O)CCCCC(=O)OCC(C)C,0,0,0,0,0,0,0 | |
| 4711 CCCCN(CCCC)C(=O)N(CCCC)CCCC,0,0,0,,1,0,1 | |
| 4712 CN1C(=O)N(CCCCC(=O)C)C(=O)c2c1ncn2C,0,0,0,0,0,0,0 | |
| 4713 Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl,0,1,0,,0,0,1 | |
| 4714 CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1,1,0,,0,1,1,1 | |
| 4715 CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,0,,0,0,0,,0 | |
| 4716 CCCCCCCCC=CCCCCCCCCOCCO,1,1,,,,,1 | |
| 4717 Oc1ccc(cc1)C(=O)c2ccc(O)cc2O,1,1,,,1,,1 | |
| 4718 Brc1ccc(Oc2ccc(Br)cc2)cc1,0,0,0,0,0,0,0 | |
| 4719 CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O,0,0,0,0,0,0,0 | |
| 4720 CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N,0,0,0,0,0,0,0 | |
| 4721 OC(=O)Cc1cn(nc1c2ccc(Cl)cc2)c3ccccc3,,0,0,0,0,1,1 | |
| 4722 CC(Cc1ccc(O)c(O)c1)(NN)C(=O)O,0,,0,0,0,,0 | |
| 4723 SCCCCCCCCS,,0,0,0,0,,0 | |
| 4724 CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,0,0,0,0,0,0,0 | |
| 4725 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2Cc3ccccc3CC2C(=O)O,0,0,0,0,0,0,0 | |
| 4726 CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc2ccccc2,0,0,0,0,0,0,0 | |
| 4727 CON(C)C(=O)Nc1ccc(Br)cc1,,1,0,,0,0,1 | |
| 4728 Nc1ccncc1N,0,0,0,0,0,,0 | |
| 4729 NC(=O)NO,0,0,0,0,0,0,0 | |
| 4730 CCCOc1ccc2nc(NC(=O)OC)sc2c1,1,1,,1,,,1 | |
| 4731 CC(C)NCC(O)c1ccccc1Cl,0,0,0,0,0,0,0 | |
| 4732 OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3,1,1,,0,0,0,1 | |
| 4733 c1ccc2[nH]ccc2c1,0,0,0,0,0,0,0 | |
| 4734 CC(C)CC(C)(C)C,0,0,0,0,0,0,0 | |
| 4735 COc1ccc2cc(ccc2c1)C(C)C(=O)O,0,0,0,0,0,0,0 | |
| 4736 CC(=CCCC(=O)C)C,0,0,0,0,0,0,0 | |
| 4737 Cc1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 4738 CCCCCCOc1ccccc1C(=O)N,1,1,0,,1,0,1 | |
| 4739 CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O,1,1,,0,,1,1 | |
| 4740 CCCCN(CCO)CCCC,0,0,0,0,0,0,0 | |
| 4741 CC1CN1P(=O)(N2CC2C)N3CC3C,0,0,0,0,0,,0 | |
| 4742 OC1Cc2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3,0,0,0,0,0,0,0 | |
| 4743 Nc1cccc2c(N)cccc12,,,0,0,0,0,0 | |
| 4744 NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N3CCCCC3,0,,0,0,1,0,1 | |
| 4745 COP(=O)(OC)OC(Br)C(Cl)(Cl)Br,1,1,0,,,1,1 | |
| 4746 CCCCCCCCCC,0,0,0,0,0,0,0 | |
| 4747 CC12CCC3C(CCC4CC5SC5CC34C)C1CCC2O,1,1,,1,0,,1 | |
| 4748 CCCCCCCCCC#N,,0,0,0,0,0,0 | |
| 4749 CCNC1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 4750 [O-][N+](=O)C(Br)Br,0,,0,,,,0 | |
| 4751 CC(C)COC(=O)c1ccccc1O,0,0,0,0,0,0,0 | |
| 4752 CC(=O)OCC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C,0,,0,0,0,,0 | |
| 4753 Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C24OC(=O)c5ccccc45)c1Br,,,,0,,,0 | |
| 4754 CCCCOC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 4755 CCCCC(CC)C(=O)O,0,0,0,0,0,0,0 | |
| 4756 CC(O)CNCC(C)O,0,0,0,0,0,0,0 | |
| 4757 CCCCCCCCS(=O)C(C)Cc1ccc2OCOc2c1,1,1,,,,,1 | |
| 4758 OS(=O)(=O)CC=C,0,0,0,0,0,0,0 | |
| 4759 Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c4ccccc4)c2c1,,,,0,,0,0 | |
| 4760 O=C(NC1CN2CCC1CC2)c3ccc4OCCOc4c3,0,0,0,0,0,0,0 | |
| 4761 OC(=O)c1cccc(c1)N(Cc2cccnc2)c3ccc(OC(F)F)c(OC(F)F)c3,,,,0,0,1,1 | |
| 4762 OC(=O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl,0,,0,0,0,,0 | |
| 4763 CC(C)(C)c1ccc(CCC=O)cc1,0,,0,,0,0,0 | |
| 4764 CN1C2CCC1C(C(C2)OC(=O)c3ccccc3)C(=O)O,0,,0,0,0,,0 | |
| 4765 FC(C(F)(F)F)C(F)(F)Oc1cc(Cl)c(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl,1,,0,0,0,0,1 | |
| 4766 CNP(=O)(OC)Oc1ccc(cc1Cl)C(C)(C)C,,,0,1,,1,1 | |
| 4767 OS(=O)(=O)c1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 4768 Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,,0,0,,0,0,0 | |
| 4769 CCC=CCCOC(=O)CC,0,0,0,0,0,0,0 | |
| 4770 CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl,0,,,0,,0,0 | |
| 4771 COC(=O)C=C(C)CCC=C(C)C,0,0,,0,0,0,0 | |
| 4772 CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C,0,0,0,0,0,0,0 | |
| 4773 CC1CCc2nccnc12,0,0,0,0,0,0,0 | |
| 4774 CC(C)CCCCCCCOC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 4775 Nc1ccc(O)c(c1)[N+](=O)[O-],0,,,0,0,0,0 | |
| 4776 CCN(Cc1ccc(Cl)nc1)C(=C[N+](=O)[O-])NC,0,0,0,0,0,0,0 | |
| 4777 CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC,0,0,0,0,0,0,0 | |
| 4778 O=C1NC(=O)c2ccccc2O1,,0,0,0,0,0,0 | |
| 4779 Cc1nnc2CN=C(c3ccccc3Cl)c4cc(Br)sc4n12,1,1,1,1,,,1 | |
| 4780 CC(C)(CO)CO,0,,0,0,0,0,0 | |
| 4781 C=CC(=O)OCCOc1ccccc1,,,1,0,1,,1 | |
| 4782 COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3,,0,,0,0,1,1 | |
| 4783 Cc1ccc(cc1)C(=O)O,0,0,0,0,0,0,0 | |
| 4784 Oc1ccc(C=C(C#N)C#N)cc1O,1,,0,0,,0,1 | |
| 4785 COc1cc(CC=C)ccc1O,0,0,0,0,0,0,0 | |
| 4786 OC(=O)C1=CN(c2ccc(F)cc2)c3cc(N4CCNCC4)c(F)cc3C1=O,1,,0,0,0,,1 | |
| 4787 CCC(C)(O)C#C,0,,0,0,0,,0 | |
| 4788 CNC(=O)NC,0,0,0,0,,0,0 | |
| 4789 NC(CSSCC(N)C(=O)O)C(=O)O,,0,0,0,0,0,0 | |
| 4790 C[N+]1(C)C2CC(CC1C3OC23)OC(=O)C(O)(c4cccs4)c5cccs5,0,,,0,0,,0 | |
| 4791 OC(=O)C=CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2,0,,0,0,0,,0 | |
| 4792 C[N+]1(C)CCCCC1,0,0,0,0,,0,0 | |
| 4793 OCNC(=O)NCO,0,0,0,0,0,0,0 | |
| 4794 OC(=O)c1ccc2c(c1)nc(C(=O)NC3CCN(CC3)C4CC4)n2Cc5cc(on5)c6ccc(Cl)s6,,1,0,0,0,1,1 | |
| 4795 Cc1ccc(O)c(N)c1,,1,0,,,1,1 | |
| 4796 OCC1OC2OC3C(O)C(O)C(OC3CO)OC4C(O)C(O)C(OC4CO)OC5C(O)C(O)C(OC5CO)OC6C(O)C(O)C(OC6CO)OC7C(O)C(O)C(OC7CO)OC8C(O)C(O)C(OC8CO)OC9C(O)C(O)C(OC9CO)OC1C(O)C2O,0,0,0,0,0,0,0 | |
| 4797 CCCCCCCCCCCCN1CCCC1=O,0,,,,,,0 | |
| 4798 CNc1ccc(cc1)[N+](=O)[O-],,,,,,0,0 | |
| 4799 Cc1ccc(cc1[N+](=O)[O-])C(=O)O,0,0,0,0,0,0,0 | |
| 4800 CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(=O)C)C3CC=C2C1,0,1,,0,0,,1 | |
| 4801 CCCCCCC(C)(C)S,0,0,0,0,0,0,0 | |
| 4802 COc1cc(C=CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,,,,0,0,,0 | |
| 4803 Cc1occc1S,0,0,0,0,0,0,0 | |
| 4804 CCCCCCCCCCCCCCCCC=C,0,0,0,0,0,0,0 | |
| 4805 OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,,,0,,,0,0 | |
| 4806 NC(=O)CCC(Nc1ccc(cc1)[N+](=O)[O-])C(=O)O,0,0,0,0,0,0,0 | |
| 4807 CC1NCCOC1c2ccccc2,0,0,0,0,0,0,0 | |
| 4808 CC1C(SC(=O)N1C(=O)NC2CCCCC2)c3ccc(Cl)cc3,,1,0,0,,1,1 | |
| 4809 CC(C)Nc1ccccc1,0,0,0,0,0,0,0 | |
| 4810 Nc1ccc(cc1)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 4811 COCCl,0,0,0,0,0,0,0 | |
| 4812 CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C,0,0,0,0,0,0,0 | |
| 4813 CC(C)CCCCCOC(=O)CCS,0,0,0,0,0,0,0 | |
| 4814 OCCCC1CCCCC1,0,0,0,0,0,0,0 | |
| 4815 Nc1ccc2N=C3N(Cc2c1)C(=O)c4ccccc34,,1,,,,,1 | |
| 4816 CCCCCCCCCCCl,0,0,,0,0,0,0 | |
| 4817 CCc1ncnc2cc(OC)c(OC)cc12,0,,0,0,0,,0 | |
| 4818 CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1,,1,0,,,1,1 | |
| 4819 CCCCCCC(=Cc1ccccc1)C=O,0,0,0,0,0,0,0 | |
| 4820 Brc1ccc(Br)c(Br)c1,0,0,0,0,0,0,0 | |
| 4821 Cc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)S(=O)(=O)O)S(=O)(=O)O)c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)S(=O)(=O)O)S(=O)(=O)O)c(C)c4,1,,0,,,,1 | |
| 4822 CCCCN(N=O)C(=N)N[N+](=O)[O-],0,1,,,,,1 | |
| 4823 CCOC(=O)CN1C(=O)Sc2cccc(Cl)c12,,,,,0,0,0 | |
| 4824 c1ccc(cc1)c2nc[nH]c2c3ccccc3,,0,0,0,1,0,1 | |
| 4825 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4,,1,,,,,1 | |
| 4826 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3,0,0,0,0,,,0 | |
| 4827 CC(=C)C(=O)OCC=C,0,0,0,0,0,0,0 | |
| 4828 Cc1cnc(C)c(C)n1,0,0,0,0,0,0,0 | |
| 4829 Clc1ccc(CN2CCSC2=NC#N)cn1,0,0,0,,0,0,0 | |
| 4830 CN(C)c1ccncc1,0,0,0,0,0,0,0 | |
| 4831 Clc1ccnc(Cl)n1,0,0,0,0,0,0,0 | |
| 4832 NS(=O)(=O)c1cc(C(=O)O)c(NCc2occc2)cc1Cl,0,0,0,0,0,0,0 | |
| 4833 Oc1ccc(cc1)C(=O)c2ccccc2,,,0,1,0,0,1 | |
| 4834 COc1cc(Cl)c(OC)cc1Cl,0,0,0,0,0,0,0 | |
| 4835 COc1ccc2CC3C4CCCCC4(CCN3C)c2c1,0,,0,0,,,0 | |
| 4836 CCC1(O)CC2CN(CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)C7C(O)(C(OC(=O)C)C8(CC)C=CCN9CCC67C89)C(=O)OC)C1,1,1,1,0,,,1 | |
| 4837 Cc1cn[nH]c1,0,0,0,0,0,0,0 | |
| 4838 CC1CCCO1,0,0,0,0,0,0,0 | |
| 4839 COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,0,0,0,0,0,0,0 | |
| 4840 COC(=O)CCC(=O)CN,0,,0,0,0,,0 | |
| 4841 CCN(CCO)CCn1c(Cc2ccccc2)nc3N(C)C(=O)N(C)C(=O)c13,0,0,0,0,0,0,0 | |
| 4842 CN1CCc2cc3OCOc3cc2C1O,,,1,0,0,,1 | |
| 4843 Oc1ccc(cc1)C(=O)NN=Cc2oc(cc2)[N+](=O)[O-],,,,,1,,1 | |
| 4844 CC(C)C(C)C,,0,0,0,0,0,0 | |
| 4845 CC1(C)COC(CC(=O)O)CN1,0,0,0,0,0,0,0 | |
| 4846 CCCCc1ccc(N)cc1,0,,0,,0,0,0 | |
| 4847 CC(C)OC(C)C,0,0,0,0,0,0,0 | |
| 4848 CC(=C)C#N,0,0,0,0,0,0,0 | |
| 4849 OC(CC(O)C=Cc1c(nc2ccccc2c1c3ccc(F)cc3)C4CC4)CC(=O)O,1,1,1,1,1,,1 | |
| 4850 CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c3ccccc3,1,,,0,0,,1 | |
| 4851 CCCCOCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,0,0,0,0,,0,0 | |
| 4852 CC1CCCC(O)CCCCCc2cc(O)cc(O)c2C(=O)O1,1,1,1,,1,1,1 | |
| 4853 CCN1CCN(CC1)c2cc(c3CCCCCCc3n2)c4ccc(F)cc4,0,0,,0,,0,0 | |
| 4854 CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)O,0,0,0,0,0,,0 | |
| 4855 CC1(C)OC2COC3(COS(=O)(=O)N)OC(C)(C)OC3C2O1,0,0,0,0,0,0,0 | |
| 4856 CC(=O)N1CC(O)CC1C(=O)O,1,,0,0,0,0,1 | |
| 4857 CCOP(=O)(CC)Oc1ccc(cc1)[N+](=O)[O-],1,,,1,0,1,1 | |
| 4858 CCCCOP(=O)(O)OCCCC,0,,0,0,0,0,0 | |
| 4859 OC1COC2C(COC12)O[N+](=O)[O-],0,,0,0,0,,0 | |
| 4860 CON=C1CC2(CC3CC(CC=C(C)CC(C)C=CC=C4COC5C(O)C(=CC(C(=O)O3)C45O)C)O2)OC(C1C)C(=CC(C)C)C,1,,,0,,,1 | |
| 4861 COC(=O)c1cc(cc(c1)S(=O)(=O)O)C(=O)OC,0,0,0,0,0,0,0 | |
| 4862 CCC(=O)C=Cc1ccc(OC)cc1,,,0,0,,0,0 | |
| 4863 CCC(CC)Nc1ccc(C)c(C)c1,0,0,0,0,0,0,0 | |
| 4864 Clc1cccc2ccccc12,0,0,0,0,0,0,0 | |
| 4865 [O-][N+](=O)c1ccc(Cl)c(c1)[N+](=O)[O-],1,,,,,,1 | |
| 4866 CCCCCCCCCCOC(=O)C=C,0,0,,0,0,0,0 | |
| 4867 CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-],1,1,0,1,0,,1 | |
| 4868 N#Cc1c2ccccc2cc3ccccc13,,1,1,,0,1,1 | |
| 4869 CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c2ccccc2,1,0,0,0,,0,1 | |
| 4870 OC(=O)c1ccc(cc1)C#N,0,0,0,0,0,0,0 | |
| 4871 OC1CCC2CN3CCc4c([nH]c5ccccc45)C3CC2C1C(=O)O,0,,0,0,0,0,0 | |
| 4872 NC(=S)NNC(=S)N,0,0,0,0,0,0,0 | |
| 4873 C(Cc1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 4874 CN(C)C1CCCCC1,0,0,0,0,0,,0 | |
| 4875 Cc1ccccc1S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 4876 CCOP(=O)(CN(CCO)CCO)OCC,0,0,0,0,0,0,0 | |
| 4877 CC=C1C(=O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,,1,,1,,1 | |
| 4878 CCN(Cc1cccnc1)C(=O)c2cccc(Cl)c2C3(C)C(=O)N(Cc4ccc(OC)cc4OC)c5ccc(Cl)cc35,,1,,,,,1 | |
| 4879 NC(=O)OCCCc1ccccc1,0,0,0,0,0,0,0 | |
| 4880 CC(C)(O)c1cnn2c(cnc2n1)c3ccc(F)c(c3)c4c(F)cccc4C#N,1,1,,1,,,1 | |
| 4881 NC(=N)NCCCCNC(=N)N,0,1,0,0,0,,1 | |
| 4882 CC(C)CC(C)(N)C#N,0,0,0,0,0,0,0 | |
| 4883 CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 4884 CC(NN)c1ccccc1,0,0,0,0,0,0,0 | |
| 4885 CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,1,,0,0,1,0,1 | |
| 4886 Clc1ccc(CCC(Cn2cncn2)(C#N)c3ccccc3)cc1,,1,,1,,,1 | |
| 4887 Cc1ccc(Cl)cc1N,0,0,0,0,0,0,0 | |
| 4888 CCNP(=S)(OC)OC(=CC(=O)OC(C)C)C,,0,,0,0,0,0 | |
| 4889 CCN(CC)C=O,0,,0,0,0,0,0 | |
| 4890 ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 4891 CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12,0,,0,0,0,,0 | |
| 4892 CC(C)C1(C)N=C(NC1=O)c2ncc(C)cc2C(=O)O,0,0,0,0,0,0,0 | |
| 4893 CCCCCC(O)C=CC=O,0,,0,0,0,,0 | |
| 4894 CCC(C)SSC(C)CC,0,,0,0,0,,0 | |
| 4895 Clc1ccc2cc3ccccc3cc2c1,,1,,,0,,1 | |
| 4896 O=S1OCCO1,0,0,0,0,,0,0 | |
| 4897 COC(=O)CCCCC(=O)OC,0,0,0,0,0,0,0 | |
| 4898 CN(C)CCN(Cc1cccs1)c2ccccn2,0,0,0,0,,0,0 | |
| 4899 COC(=O)C(C)O,0,0,0,0,0,0,0 | |
| 4900 CN1C(=O)C(O)N=C(c2ccccc2)c3cc(Cl)ccc13,0,1,1,,0,0,1 | |
| 4901 CCC=CCCO,0,0,0,0,0,0,0 | |
| 4902 CC(NC(CCc1ccccc1)C(=O)O)C(=O)N2CCCC2C(=O)O,0,0,0,0,0,0,0 | |
| 4903 CCCCNC1CC(C)(C)NC(C)(C)C1,0,0,0,,,0,0 | |
| 4904 CC1=CC(=O)Oc2cc(O)cc(O)c12,,1,1,0,0,,1 | |
| 4905 Oc1ccc(cc1)C(=O)c2ccc(O)c(O)c2O,,1,,0,0,0,1 | |
| 4906 Oc1ccc(cc1)C2(CCCCC2)c3ccc(O)cc3,1,1,1,,,1,1 | |
| 4907 OC(=O)CCOC(=O)C=C,1,,1,0,0,,1 | |
| 4908 NC1CC1c2ccccc2,0,,0,0,0,0,0 | |
| 4909 CCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C,1,1,1,0,,,1 | |
| 4910 COc1cc(OC)c2C=CC(=O)Oc2c1,1,0,0,1,0,,1 | |
| 4911 OCC(Br)CBr,,0,0,0,0,0,0 | |
| 4912 CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1,1,1,,,,,1 | |
| 4913 C=C(CCC#N)C#N,0,0,0,0,0,0,0 | |
| 4914 OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F,0,0,0,0,0,0,0 | |
| 4915 CCCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,0,0,0,0,0,0,0 | |
| 4916 Oc1[nH]cnc2ncnc12,,0,0,0,0,0,0 | |
| 4917 CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c2ccccc2,,,0,0,0,,0 | |
| 4918 CCCCC(=O)C=CC,0,0,0,0,0,0,0 | |
| 4919 CCOc1ccc(N)cc1,0,0,0,,0,,0 | |
| 4920 CC(C)c1nc(nc(c2ccc(F)cc2)c1C=CC(O)CC(O)CC(=O)O)N(C)S(=O)(=O)C,,,0,,0,,0 | |
| 4921 CCOC(=O)CCC(=O)OC1C(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)OC(C)CC1N(C)C,0,,0,0,0,,0 | |
| 4922 OCC#C,0,,0,0,0,0,0 | |
| 4923 CN1N=C(SC1=NC(=O)C)S(=O)(=O)N,0,,0,0,0,,0 | |
| 4924 Cc1onc(c1C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O)c4c(Cl)cccc4Cl,0,0,,0,0,0,0 | |
| 4925 CN(C)CCOC(C)(c1ccccc1)c2ccccn2,0,0,0,0,0,0,0 | |
| 4926 CCOC(=O)c1c(C)n(C)c2ccc(O)cc12,0,1,0,0,0,,1 | |
| 4927 NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F,0,0,0,0,0,0,0 | |
| 4928 CC1CCC2(NC1)OC3CC4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C,0,,0,0,,,0 | |
| 4929 CC(C)Cc1ccc(cc1)C(C)C(=O)O,0,0,0,0,0,0,0 | |
| 4930 CN(C)S(=O)(=O)n1c(nc(Cl)c1c2ccc(C)cc2)C#N,,1,,,1,,1 | |
| 4931 COc1cc(ccc1Nc2ncc3N(C)C(=O)C(F)(F)CN(C4CCCC4)c3n2)C(=O)NC5CCN(C)CC5,1,1,1,,1,,1 | |
| 4932 OC(=O)Cc1csc(n1)c2ccc(Cl)cc2,,0,0,0,0,0,0 | |
| 4933 O=C(C1CCC1)c2ccccc2,0,0,0,0,0,0,0 | |
| 4934 CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC,,,0,,1,0,1 | |
| 4935 Cc1ccc2ncccc2c1,0,0,0,0,0,0,0 | |
| 4936 Cc1ccc(cc1)C(C)(C)C,0,0,0,0,0,0,0 | |
| 4937 CC(C)(c1ccccc1)c2ccc(Nc3ccc(cc3)C(C)(C)c4ccccc4)cc2,,1,,0,0,0,1 | |
| 4938 COC1CC(OC2C(C)C(OC3OC(C)CC(C3OC(=O)C)N(C)C)C(C)CC4(CO4)C(=O)C(C)C(OC(=O)C)C(C)C(C)OC(=O)C2C)OC(C)C1OC(=O)C,0,,0,0,0,,0 | |
| 4939 BrCCCCBr,0,0,0,0,0,0,0 | |
| 4940 CCN(CC)CCCl,0,0,,0,,0,0 | |
| 4941 Cc1oncc1C(=O)Nc2ccc(cc2)C(F)(F)F,1,1,0,1,,0,1 | |
| 4942 CCn1c2ccccc2c3cc(N)ccc13,,,0,0,1,0,1 | |
| 4943 CC(=O)C(=CC1C(=CCCC1(C)C)C)C,,0,0,0,0,0,0 | |
| 4944 Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)c(Oc3ncc(cc3Cl)C(F)(F)F)c2,0,,,0,0,,0 | |
| 4945 COc1ccc(cc1)C(=O)c2c(C)n(CCN3CCOCC3)c4ccccc24,1,0,0,0,,1,1 | |
| 4946 CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,0,0,0,0,0,0,0 | |
| 4947 CCCCCCCCCCCCCCCCCCOCCO,0,0,0,0,0,0,0 | |
| 4948 CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc4cccnc24)CC1,1,1,,0,,1,1 | |
| 4949 CCC(=O)c1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 4950 CCCCCCCCCOC(=O)C,0,0,0,0,0,0,0 | |
| 4951 NNc1nc(cs1)c2ccc(N)cc2,,,0,,,,0 | |
| 4952 O=C(Cc1ccccc1)OCc2ccccc2,0,,0,0,,0,0 | |
| 4953 CC(=O)N(CC(O)CN(C(=O)C)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c2c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c2I,0,0,0,0,0,0,0 | |
| 4954 CCC(=O)OC,0,0,0,0,0,0,0 | |
| 4955 CNC(=O)Oc1cccc2ccccc12,0,0,0,0,0,0,0 | |
| 4956 CCOC(=O)Cl,0,0,0,0,0,0,0 | |
| 4957 Clc1nc(c(Cl)c(Cl)c1Cl)C(Cl)(Cl)Cl,,,1,,,1,1 | |
| 4958 COc1cc2OCC3Oc4c5CC(Oc5ccc4C(=O)C3c2cc1OC)C(=C)C,,1,1,,1,1,1 | |
| 4959 CC(=CCCC(=CCCC(C)(O)C=C)C)C,0,0,0,0,0,0,0 | |
| 4960 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CSc3nc(C)c(CC(=O)O)s3)c4csc(N)n4,0,,0,1,0,,1 | |
| 4961 COC(=O)C12CCC(C)(C)CC1C3C(=O)C=C4C(C)(CCC5C(C)(C)C(=O)C(=CC45C)C#N)C3(C)CC2,,1,,,1,,1 | |
| 4962 ON(Cc1ccccc1)Cc2ccccc2,0,0,0,,0,0,0 | |
| 4963 OCC(CO)OP(=O)(O)O,0,,,0,0,,0 | |
| 4964 OC(=O)C(Br)Br,0,0,0,0,0,0,0 | |
| 4965 CC(C)CCCC(C)CC=O,0,0,0,0,0,0,0 | |
| 4966 CCOP(=S)(OCC)OP(=S)(OCC)OCC,0,0,0,0,0,0,0 | |
| 4967 CN(N=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 4968 CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1,0,0,0,0,,0,0 | |
| 4969 CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,,0,0,0,0,0,0 | |
| 4970 CCCCCCOc1ccc(O)cc1,1,1,,,,1,1 | |
| 4971 OCC(CO)(CO)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 4972 Oc1cc(O)c(Cl)cn1,0,0,0,0,0,0,0 | |
| 4973 Nc1ccc(O)c(c1)C(=O)O,0,0,0,0,0,0,0 | |
| 4974 CCN1C=CN(C)C1C,0,0,0,0,0,0,0 | |
| 4975 CCCCOC(=O)CCC(=O)C,0,0,0,0,0,0,0 | |
| 4976 CC(C)CC(C)O,0,0,0,0,0,0,0 | |
| 4977 CCCBr,0,0,0,0,0,0,0 | |
| 4978 CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2,0,0,0,0,0,0,0 | |
| 4979 OC(C(=O)O)c1ccccc1,0,0,0,0,0,0,0 | |
| 4980 COC1=CC=C2C3Cc4ccc(OC)c5OC1C2(CCN3C)c45,0,,0,0,0,,0 | |
| 4981 CCC(C)Nc1ccc(NC(C)CC)cc1,,1,,,,,1 | |
| 4982 NC(CC(=O)N)C(=O)O,,,,0,0,,0 | |
| 4983 CCC(C)CCCCC(=O)NC(CCNCS(=O)(=O)O)C(=O)NC(C(C)O)C(=O)NC(CCNCS(=O)(=O)O)C(=O)NC1CCNC(=O)C(NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCNCS(=O)(=O)O)NC1=O)C(C)O,0,,0,0,,,0 | |
| 4984 CCC(=NO)C,0,0,0,0,0,0,0 | |
| 4985 C1COC=CC1,0,0,0,0,0,0,0 | |
| 4986 O=C(OCCCCCCOC(=O)c1ccccc1)c2ccccc2,,,0,0,0,0,0 | |
| 4987 CCOP(=S)(OCC)Oc1ncn(n1)c2ccccc2,,,0,0,0,0,0 | |
| 4988 COC1CC(CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC)CCC1OC(=O)C(C)(CO)CO,0,,0,0,,,0 | |
| 4989 CC1C(NC(=O)C)C(OC2C(O)C(O)C(OC3C(O)C(NS(=O)(=O)O)C4OCC3O4)OC2C(=O)O)OC(CO)C1OC5CC(C(OC6OC(COS(=O)(=O)O)C(OC7OC(=CC(O)C7O)C(=O)O)C(O)C6NC(=O)C)C(O)C5O)C(=O)O,0,,0,0,0,,0 | |
| 4990 OC(=O)CS,0,0,0,0,0,0,0 | |
| 4991 OCC1OC(Oc2cc3C=CC(=O)Oc3cc2O)C(O)C(O)C1O,,,1,0,0,,1 | |
| 4992 CCC(CC)C(=O)O,0,,0,0,0,0,0 | |
| 4993 CCC12CCC3C(CCC4=CC(=NO)CCC34)C1CCC2(O)C#C,1,1,1,,,,1 | |
| 4994 CCCCCCCCCCCCCCCC[N+](C)(C)C,1,1,,,,,1 | |
| 4995 Cc1c[nH]c2ccccc12,0,0,0,0,0,0,0 | |
| 4996 Cc1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 4997 C1CCC2CCCCC2C1,0,0,0,0,0,0,0 | |
| 4998 Cc1nc(O)c(cc1c2ccncc2)C#N,0,0,0,0,0,0,0 | |
| 4999 OCCN1CCN(CCCN2c3ccccc3C=Cc4ccccc24)CC1,0,,0,0,,,0 | |
| 5000 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2C3CCCC3CC2C(=O)O,0,0,0,0,0,0,0 | |
| 5001 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)c3cccnc3)c(C)c(C)c2O1,0,0,0,0,0,,0 | |
| 5002 Clc1nnc(Cl)c2ccccc12,,,1,0,0,1,1 | |
| 5003 CCCCCCCCCCCCN1CCCCCC1=O,1,,,,,,1 | |
| 5004 CCCCOCCOCCOCCOCCO,0,0,0,0,0,0,0 | |
| 5005 COc1ccc(OC)c(NC(=O)CC(=O)C)c1,,0,0,0,0,0,0 | |
| 5006 Fc1ccc(C=O)cc1Br,0,0,0,0,0,0,0 | |
| 5007 COC(=O)C(C1CCCCN1)c2ccccc2,0,0,0,0,0,0,0 | |
| 5008 NC(=N)N[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 5009 Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(C(O)C4O)n5cnc6c(N)ncnc56)c2cc1C,,,0,1,0,,1 | |
| 5010 CCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1,0,0,0,0,0,,0 | |
| 5011 OC(=O)c1snc(Cl)c1Cl,0,0,,0,,0,0 | |
| 5012 CC1=C(N2C(SC1)C(NC(=O)C(N)c3ccc(O)cc3)C2=O)C(=O)O,0,0,0,0,0,0,0 | |
| 5013 BrCc1ccc(Br)cc1,,0,0,0,0,0,0 | |
| 5014 Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4,1,1,0,,,0,1 | |
| 5015 ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl,1,0,,0,0,0,1 | |
| 5016 NC(Cc1ccc(O)cc1)C(=O)O,0,0,0,0,0,0,0 | |
| 5017 CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2,,0,,,1,0,1 | |
| 5018 CN(N=O)C(=O)N,0,0,0,0,0,0,0 | |
| 5019 NC(COC(=C[N+]#N)O)C(=O)O,0,0,0,0,0,0,0 | |
| 5020 CC(=O)OCC(CCn1cnc2cnc(N)nc12)COC(=O)C,0,,0,0,0,0,0 | |
| 5021 CCNC(C)Cc1ccc2OCOc2c1,0,0,0,0,0,,0 | |
| 5022 CCN(CC)CCc1c[nH]c2ccccc12,0,0,0,0,,0,0 | |
| 5023 CC(CCOC=O)CCC=C(C)C,,0,0,,,0,0 | |
| 5024 CCC1(O)C(=O)OCC2=C1C=C3N(Cc4c(C=NOC(C)(C)C)c5ccccc5nc34)C2=O,,1,,,,,1 | |
| 5025 CCCCCCC(C)O,0,0,0,0,,0,0 | |
| 5026 CNC(C)C(O)c1ccc(O)cc1,0,,0,0,0,,0 | |
| 5027 Cc1ccc2c(Br)cc(Br)c(O)c2n1,1,1,1,0,,,1 | |
| 5028 CCCCS(=O)(=O)Cl,0,0,0,0,0,0,0 | |
| 5029 OCCCCO,0,0,0,0,0,0,0 | |
| 5030 CN1CCN(CC1)C2=Nc3cc(F)ccc3Cc4ccccc24,,0,0,0,,,0 | |
| 5031 CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,0,0,0,0,0,0 | |
| 5032 Cc1cc(C)cc(c1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 5033 CC(O)C(C)C1OC1CC2COC(CC(=CC(=O)OCCCCCCCCC(=O)O)C)C(O)C2O,0,,0,0,0,,0 | |
| 5034 COC(C(Oc1nc(C)cc(C)n1)C(=O)O)(c2ccccc2)c3ccccc3,0,0,0,0,0,0,0 | |
| 5035 CSC(C)(C)C=NO,0,0,0,0,0,0,0 | |
| 5036 CCCc1cc(ccn1)C(=S)N,0,0,0,0,0,0,0 | |
| 5037 OP(=O)(O)OP(=O)(O)OP(=O)(O)O,0,,0,0,0,,0 | |
| 5038 CCCCCCCN(CC)CCCC(O)c1ccc(NS(=O)(=O)C)cc1,0,,0,0,,,0 | |
| 5039 Clc1cc(cnc1Cl)C(Cl)(Cl)Cl,0,,,,,0,0 | |
| 5040 CCOC(=O)c1ccccc1C,0,0,0,,0,0,0 | |
| 5041 OC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O,0,,0,0,0,0,0 | |
| 5042 CN1CC(O)c2cc(N=NC(=O)N)c(O)cc12,0,,0,0,0,,0 | |
| 5043 CCCCN(CC)C(=O)SCCC,0,,0,0,0,0,0 | |
| 5044 Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O,,,0,,,1,1 | |
| 5045 Nc1nccs1,0,0,0,0,0,0,0 | |
| 5046 COC(=O)c1sccc1S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 5047 CCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl,1,1,0,1,,0,1 | |
| 5048 CC1CN(CCCn2c3ccccc3c4ccccc24)CC(C)N1,,,0,,,,0 | |
| 5049 CC(C)(C)c1ccc(O)cc1,0,0,0,0,0,0,0 | |
| 5050 CC(CC(=O)O)CC(C)(C)C,0,0,0,0,0,0,0 | |
| 5051 OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O,0,0,0,0,0,0,0 | |
| 5052 CC(C)CCCCCCc1ccc(OCCOCCO)cc1,,0,0,0,0,0,0 | |
| 5053 CCCCCCCCCCCCCCCCBr,0,0,0,0,0,0,0 | |
| 5054 NC(=O)c1cc[n+](CC2=C(N3C(SC2)C(NC(=O)Cc4cccs4)C3=O)C(=O)O)cc1,0,0,0,0,0,0,0 | |
| 5055 c1ccc(cc1)n2cnnn2,0,,0,0,0,,0 | |
| 5056 CCCCCCCCC=CCCCCCCCCO,,0,,0,0,0,0 | |
| 5057 CC(C)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 5058 Cc1oc(nc1CCOc2ccc(CC(Nc3ccccc3C(=O)c4ccccc4)C(=O)O)cc2)c5ccccc5,,,,,,1,1 | |
| 5059 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,,0,1,0,,1 | |
| 5060 Oc1ccccc1F,0,0,0,0,0,0,0 | |
| 5061 CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCC,0,0,0,0,0,0,0 | |
| 5062 COc1cc(cc(OC)c1OC)C(=O)N2CCOCC2,0,0,0,0,0,0,0 | |
| 5063 OCCc1ccccn1,0,0,0,0,0,0,0 | |
| 5064 COCCOCCOC,0,0,0,0,0,0,0 | |
| 5065 OCC1OC(CC1O)N2C=C(F)C(=O)NC2=O,,,,0,,,0 | |
| 5066 C(CN1c2ccccc2Sc3ccccc13)N4CCCC4,,,0,0,,,0 | |
| 5067 CC1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3CCC12C,1,1,1,,,0,1 | |
| 5068 NNC(=S)NN,0,0,0,,,0,0 | |
| 5069 CCC1(C)CC(=O)NC1=O,0,0,0,0,0,0,0 | |
| 5070 Cc1cc(CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(c2)C(C)(C)C)cc(c1O)C(C)(C)C,0,0,0,0,0,0,0 | |
| 5071 OC(C(O)C(O)C(=O)O)C(O)C(=O)O,0,0,0,0,0,0,0 | |
| 5072 COC1OC2OC3(C)CCC4C(C)CCC(C1C)C24OO3,0,,0,0,1,,1 | |
| 5073 Nc1ccc(N=Nc2ccccc2)c(N)n1,1,1,1,1,,0,1 | |
| 5074 CCCCCCCCCCCCCCCC,,0,0,0,0,0,0 | |
| 5075 OC(=O)CCCCCCCC(=O)O,0,0,0,0,0,0,0 | |
| 5076 [O-][N+](=O)c1ccccc1Cl,0,0,0,0,0,0,0 | |
| 5077 NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 5078 OC(=O)CCCCC1CCSS1,0,0,0,0,0,0,0 | |
| 5079 CC(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CCO)CC4)c2c1,0,0,0,0,,,0 | |
| 5080 Oc1ccc2CC3N(CC4CC4)CCC56C(Oc1c25)C(=C)CCC36O,0,0,0,0,0,0,0 | |
| 5081 NC(=S)NC(=S)N,0,0,0,0,,0,0 | |
| 5082 CN(C)C(=O)Cc1c(nc2ccc(C)cn12)c3ccc(C)cc3,1,,1,1,0,0,1 | |
| 5083 CC1=CC(=C(c2ccc(Nc3ccc(cc3)S(=O)(=O)O)cc2)c4ccc(Nc5ccc(cc5S(=O)(=O)O)S(=O)(=O)O)cc4)C=CC1=N,0,0,0,0,0,0,0 | |
| 5084 CC(C)(CCC(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 5085 COc1cccc(OC)c1,0,0,0,0,0,0,0 | |
| 5086 CC1(C)CNC(=NC1)NN=C(C=Cc2ccc(cc2)C(F)(F)F)C=Cc3ccc(cc3)C(F)(F)F,,1,,,,,1 | |
| 5087 Clc1cccc(c1)C(c2ccc3[nH]cnc3c2)n4ccnc4,1,1,,1,1,0,1 | |
| 5088 CNC1CCc2[nH]c3ccc(cc3c2C1)C(=O)N,0,,0,0,0,,0 | |
| 5089 CN(C)CCCN1c2ccccc2CCc3ccccc13,,0,,0,,1,1 | |
| 5090 C1CCc2nnnn2CC1,0,,0,0,0,,0 | |
| 5091 CCCCCCCCCCCC(=O)O,,,,0,,0,0 | |
| 5092 Oc1ccc(Cl)cc1Cc2ccccc2,,,,,,1,1 | |
| 5093 OC1C(Cc2cccc(c2)C(=O)O)COc3ccc(OCc4nc5cc(F)ccc5s4)cc13,0,0,,0,0,0,0 | |
| 5094 CC1(C)SC2C(NC(=O)C(C(=O)Oc3ccc4CCCc4c3)c5ccccc5)C(=O)N2C1C(=O)O,,,0,,0,,0 | |
| 5095 CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2,,1,,,,,1 | |
| 5096 CCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],1,1,0,0,,0,1 | |
| 5097 COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C,0,0,0,0,0,0,0 | |
| 5098 BrCCCBr,0,0,0,0,0,0,0 | |
| 5099 CCCSSC(=C(C)N(Cc1cnc(C)nc1N)C=O)CCO,,,1,,,,1 | |
| 5100 CCC(=C(c1ccccc1)c2ccc(OCCN(C)C)cc2)c3ccccc3,0,1,,1,,,1 | |
| 5101 c1ccc2c(c1)[nH]c3ccccc23,0,0,0,0,0,0,0 | |
| 5102 CC(C)(C)c1ccc(C=O)cc1,0,0,0,0,0,0,0 | |
| 5103 OC(=O)Cc1ccccc1,0,0,0,0,0,0,0 | |
| 5104 COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2,0,0,0,0,0,0,0 | |
| 5105 OS(=O)(=O)c1ccc2ccccc2c1,0,0,0,0,0,0,0 | |
| 5106 Cc1cccc(C)c1NC(=O)c2ccccc2C(=O)O,0,0,0,0,0,0,0 | |
| 5107 CCC(N)CO,0,0,0,0,0,0,0 | |
| 5108 CCCCCCCCBr,0,0,0,0,0,0,0 | |
| 5109 CCOC(=O)c1ncn2c1CN(C)C(=O)c3c(I)cccc23,0,0,0,0,,0,0 | |
| 5110 OC(=O)c1cccnc1C(=O)O,,0,0,0,0,0,0 | |
| 5111 CCCc1cc(O)nc(S)n1,0,0,0,0,0,0,0 | |
| 5112 N#CC1(CCCCC1)N2CCCCC2,0,,0,0,0,,0 | |
| 5113 CC(=O)NC(Cc1ccccc1)C(=O)O,0,0,0,0,,0,0 | |
| 5114 Cc1cccc(Cl)c1,0,0,0,0,0,0,0 | |
| 5115 CN=C(NCC1CCOC1)N[N+](=O)[O-],0,0,0,,0,0,0 | |
| 5116 OC1=CC=CC=CC1=O,,,0,1,,0,1 | |
| 5117 OCC1CCCO1,0,0,0,0,0,0,0 | |
| 5118 CCCCCCCCCCCC(=O)OCC(O)C1OCC(OCCO)C1OCCO,0,,0,1,0,0,1 | |
| 5119 CC(=O)OC=C,0,,0,0,0,0,0 | |
| 5120 CNCCCCOc1ccccc1Cc2ccccc2,0,,0,,,1,1 | |
| 5121 CCCC(=O)OCc1ccccc1,0,0,0,0,0,0,0 | |
| 5122 Cc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 5123 CC=Cc1ccc2OCOc2c1,0,0,0,0,0,0,0 | |
| 5124 CCCCOC(=O)C(C)O,0,0,0,0,0,0,0 | |
| 5125 COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1,,1,0,1,0,1,1 | |
| 5126 C(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 5127 OCC(c1ccc(Cl)cc1)c2ccc(Cl)cc2,,1,,,,,1 | |
| 5128 [O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],,0,,0,0,0,0 | |
| 5129 Oc1cc(Cl)c(Cl)c(Cl)c1,,1,,,,,1 | |
| 5130 Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1,,,1,0,,,1 | |
| 5131 Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl,0,0,0,0,0,0,0 | |
| 5132 CCCCCCCCCCCC(=O)N(CC)CC,0,0,0,0,0,0,0 | |
| 5133 c1ccc(cc1)c2nn[nH]n2,0,,0,0,0,0,0 | |
| 5134 NN=C(N)N,0,0,0,0,0,0,0 | |
| 5135 CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1,1,,1,1,0,0,1 | |
| 5136 CC(=O)NC(C(O)CC(=O)C(=O)O)C(O)C(O)C(O)CO,0,,0,0,0,,0 | |
| 5137 CCCCCCCCCC(C)C=O,1,1,,,1,1,1 | |
| 5138 CC1CC(CC(C)(C)C1)OC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 5139 Oc1ccc(cc1)C(=O)CBr,0,0,0,,0,0,0 | |
| 5140 NC(=O)NS(=O)(=O)c1ccc(N)cc1,1,0,,,0,0,1 | |
| 5141 CC(c1ccc(O)cc1)c2ccc(O)cc2,1,1,,1,0,1,1 | |
| 5142 CC(C)CC(C)N,0,0,0,0,0,0,0 | |
| 5143 CC1CCC2C(C)C(OC(=O)CCC(=O)O)OC3OC4(C)CCC1C23OO4,1,1,1,,,,1 | |
| 5144 CC(C)CCOCC(=O)OCC=C,0,0,,0,0,0,0 | |
| 5145 CCn1cc[n+](C)c1,0,0,0,0,0,0,0 | |
| 5146 CCOC(=O)CC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 5147 CC(=O)c1ccc(cc1)[N+](=O)[O-],,0,0,0,0,0,0 | |
| 5148 Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5,,,,0,,,0 | |
| 5149 COc1cccc(c1)C(=O)CCNC(C)C(O)c2ccccc2,,0,,,,,0 | |
| 5150 CC1C(NC(=O)N1C)c2ccccc2,0,0,0,0,0,0,0 | |
| 5151 COC(=O)c1ccccc1Cl,0,0,0,0,0,0,0 | |
| 5152 CC(=O)Oc1cccc(C)c1,0,0,0,0,0,0,0 | |
| 5153 CC(C)C(=O)c1c(nn2ccccc12)C(C)C,0,0,0,0,0,0,0 | |
| 5154 OC(=O)CCn1c2CCC(Cc2c3ccccc13)NS(=O)(=O)c4ccc(F)cc4,0,0,0,0,0,0,0 | |
| 5155 CNC(=O)Oc1ccccc1C(C)C,0,0,0,0,0,0,0 | |
| 5156 CCCC(=O)c1cc(O)c(O)cc1O,0,0,0,0,,0,0 | |
| 5157 CC(C)(CS(=O)(=O)O)NC(=O)C=C,0,0,0,0,0,0,0 | |
| 5158 CCSC(=O)N(CC)C1CCCCC1,0,0,0,0,0,,0 | |
| 5159 CCCCCCCCCCCCCCCCCCOP(=O)(O)OC1CC[N+](C)(C)CC1,0,,0,0,0,,0 | |
| 5160 CN(C)CCCN,0,0,0,0,0,0,0 | |
| 5161 Cc1cccc(Oc2ccccc2)c1,0,,0,,,0,0 | |
| 5162 CCCCCCCCCCCCBr,0,0,0,,,0,0 | |
| 5163 [O-][N+](=O)c1c(Cl)cc(Cl)cc1Cl,0,0,0,,0,0,0 | |
| 5164 CCC(C(C)O)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OCC5COC(Cn6cncn6)(C5)c7ccc(F)cc7F)cc4,,1,,0,,,1 | |
| 5165 OC(=O)c1c(Cl)ccc(Cl)c1Cl,0,0,0,0,,0,0 | |
| 5166 CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC,0,0,0,0,0,0,0 | |
| 5167 CN(C)CCOCCN(C)CCO,0,0,0,0,0,0,0 | |
| 5168 CC1CCC2C(C)C3C(CC4C5CC=C6CC(CCC6(C)C5CCC34C)OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC9OC(C)C(O)C(O)C9O)N2C1,0,1,0,,,,1 | |
| 5169 COCCc1ccc(OCC(O)CNC(C)C)cc1,0,0,0,0,0,0,0 | |
| 5170 CCCCC(=O)N(Cc1ccc(cc1)c2ccccc2c3nn[nH]n3)C(C(C)C)C(=O)O,0,,0,0,0,,0 | |
| 5171 C[N+]1(C)CCN(CC(O)(C2CCCCC2)c3ccccc3)CC1,0,,0,0,0,,0 | |
| 5172 CCCCCCCCCCCCOC(=O)c1ccc(O)cc1,0,1,,,,0,1 | |
| 5173 CC(Cc1ccc(O)cc1)NCC(O)c2cc(O)cc(O)c2,0,0,0,0,0,0,0 | |
| 5174 CN1CCN(CC1)C2=Nc3ccccc3Cc4ccccc24,0,,0,0,,,0 | |
| 5175 OCCOCC#CCOCCO,,0,0,0,0,0,0 | |
| 5176 CCC(Cl)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 5177 CC(=O)NC(=O)c1ccccc1O,0,0,0,0,0,0,0 | |
| 5178 CC(C)C12CC1C(C)C(=O)C2,0,0,0,0,0,0,0 | |
| 5179 CC1CC2C3CCC(O)(C(=O)COC(=O)C)C3(C)CC(O)C2C4(C)C=CC(=O)C=C14,1,,1,1,0,,1 | |
| 5180 CN1C(=O)OC(C)(C)C1=O,0,0,0,0,0,0,0 | |
| 5181 OS(=O)(=O)c1cc(ccc1C=Cc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 5182 Nc1ccc(c(N)c1)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 5183 CCCCCCCCO,0,0,0,0,0,0,0 | |
| 5184 CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,0,,0,0,0,,0 | |
| 5185 OC(=O)CCl,0,0,0,0,0,0,0 | |
| 5186 COC(C)OC,0,0,0,0,0,0,0 | |
| 5187 CCCN(CCC)CCc1cccc2NC(=O)Cc12,0,0,0,0,0,0,0 | |
| 5188 CN1C(=O)CC(C)(C1=O)c2ccccc2,0,0,0,0,0,0,0 | |
| 5189 COc1cc(Cl)c(OC)cc1N,0,0,0,0,0,0,0 | |
| 5190 CCCCP(CCCC)CCCC,0,0,0,0,0,0,0 | |
| 5191 CCOP(=S)(OCC)ON=C(C#N)c1ccccc1,0,0,0,0,0,0,0 | |
| 5192 CCCCc1cc2c(O)c(cnc2cc1OCc3ccccc3)C(=O)OC,0,,0,0,0,,0 | |
| 5193 CCOC(=O)Cc1cccc2ccccc12,0,,0,0,0,0,0 | |
| 5194 CCOC(=O)CC,0,0,0,0,0,0,0 | |
| 5195 CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O,,,,0,,1,1 | |
| 5196 CCOC(=O)COc1cc(c(F)cc1Cl)c2nn(C)c(OC(F)F)c2Cl,,0,0,0,0,,0 | |
| 5197 OCC(Br)(CO)[N+](=O)[O-],,0,0,0,,,0 | |
| 5198 CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12,0,0,0,0,0,,0 | |
| 5199 CC(C)N1C(=O)c2ccccc2C1=O,0,0,0,0,0,0,0 | |
| 5200 CCCCCCC(O)CC=CCCCCCCCC(=O)OCC(O)CO,0,,,0,,0,0 | |
| 5201 COc1cc(NS(=O)(=O)C)ccc1Nc2c3ccccc3nc4ccccc24,1,,,,,,1 | |
| 5202 Nc1cc(C(=C(Cl)Cl)Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N,,0,0,0,0,0,0 | |
| 5203 C=CCc1ccc2OCOc2c1,0,0,0,0,0,0,0 | |
| 5204 CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1,1,1,,0,0,1 | |
| 5205 NC(CSCC(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 5206 CCOc1nc(ns1)C(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 5207 Oc1c(I)cc(cc1I)[N+](=O)[O-],,1,,0,,,1 | |
| 5208 CNC(=O)ON=C(C)SC,0,0,0,0,0,0,0 | |
| 5209 OCC1CO1,0,,0,0,0,0,0 | |
| 5210 CCCCCc1occc1,,,1,1,,1,1 | |
| 5211 CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CSc3ccncc3)C2=O)C(=O)O,0,0,0,0,0,0,0 | |
| 5212 CCCCCCCCOCCCN,0,1,0,0,,0,1 | |
| 5213 O=C1OC(=O)c2ccccc12,0,0,0,,0,0,0 | |
| 5214 CCCCOCCO,0,0,0,0,0,0,0 | |
| 5215 CC(CN1c2ccccc2Sc3ccc(cc13)S(=O)(=O)N(C)C)N(C)C,,,0,,,,0 | |
| 5216 ClCC(=O)c1ccccc1,0,,0,1,0,,1 | |
| 5217 Nc1nc(N)nc(NC2CC2)n1,0,0,0,0,0,0,0 | |
| 5218 CCOC(=O)CC#N,0,0,0,0,0,0,0 | |
| 5219 BrC(Br)C(Br)Br,0,0,0,0,,0,0 | |
| 5220 Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-],1,1,1,1,,,1 | |
| 5221 Nc1ccccc1C(=O)OCC=Cc2ccccc2,1,1,0,1,,0,1 | |
| 5222 Nc1cccc(c1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 5223 Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,0,0,0,0,0,0,0 | |
| 5224 CCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCC(=O)O,,,0,0,0,,0 | |
| 5225 CN(C)C1C2CC3C(=C(O)C2(O)C(=C(C(=O)NCN4CCCC4)C1=O)O)C(=O)c5c(O)cccc5C3(C)O,0,0,0,0,0,0,0 | |
| 5226 COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(C2O)N(C)C,,,,,0,,0 | |
| 5227 CC(C)(O)CCC(C)(C)O,0,0,0,0,,0,0 | |
| 5228 CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1,1,,,0,,0,1 | |
| 5229 Nc1cccc(c1)C(F)(F)F,0,0,0,0,0,0,0 | |
| 5230 CC(C(=O)O)c1ccc(cc1)C(=O)c2cccs2,0,0,0,0,0,,0 | |
| 5231 c1ccc2nccnc2c1,,0,,0,,0,0 | |
| 5232 CCC(=O)OCc1ccc(OC)cc1,0,0,0,0,0,0,0 | |
| 5233 OC(=O)c1ccc(cc1)C(=O)O,0,0,0,0,0,0,0 | |
| 5234 Nc1nc(N)c(s1)c2ccccc2,0,0,0,0,0,0,0 | |
| 5235 C=CC1CC2CC1C=C2,0,0,0,0,0,0,0 | |
| 5236 CC(C)C1=CCC(=CC1)C,0,0,0,0,0,0,0 | |
| 5237 CNCCCN1c2ccccc2CCc3ccccc13,0,0,0,0,,,0 | |
| 5238 Cc1onc(c2ccccc2)c1C(=O)NC3C4SC(C)(C)C(N4C3=O)C(=O)O,0,,0,0,0,,0 | |
| 5239 Cc1cc(C)nc(Nc2ccccc2)n1,1,,0,1,0,0,1 | |
| 5240 CCOC(=O)OC1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)C(=O)COC(=O)CC,1,1,1,1,0,,1 | |
| 5241 CC(CO)Oc1ccccc1,0,0,0,0,0,0,0 | |
| 5242 CCCCC(CC)COC(=O)CC#N,0,0,0,0,0,0,0 | |
| 5243 CC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C,,,1,0,0,0,1 | |
| 5244 CC1CC(=O)NN=C1c2ccc(NN=C(C#N)C#N)cc2,1,,,,,1,1 | |
| 5245 Oc1ccc(C(=O)c2cc(O)c(O)c(O)c2)c(O)c1O,1,0,0,0,,,1 | |
| 5246 Clc1ccccc1CN2CCc3sccc3C2,0,1,0,0,,0,1 | |
| 5247 Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl,0,0,0,0,0,0,0 | |
| 5248 C(Cc1ccccc1)Cc2ccccn2,,1,0,,0,0,1 | |
| 5249 CC(O)COC(=O)C=C,,,,,0,1,1 | |
| 5250 Sc1[nH]cnc2ncnc12,1,1,,1,0,,1 | |
| 5251 Cc1cc(Cl)ccc1OCCCC(=O)O,,0,0,1,0,0,1 | |
| 5252 CCCCSCCCC,0,0,0,0,0,0,0 | |
| 5253 [O-][N+](=O)c1cc(c(Cl)c(c1Cl)[N+](=O)[O-])C(F)(F)F,1,,1,,,,1 | |
| 5254 OCCNC(=O)C=Cc1ccccc1,0,0,0,0,0,0,0 | |
| 5255 Clc1cc(NC(=O)Nc2ccccc2)ccn1,,1,,,,,1 | |
| 5256 CN(C)N=Nc1[nH]cnc1C(=O)N,0,0,0,0,0,0,0 | |
| 5257 CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC,1,1,,1,,,1 | |
| 5258 CCCCCCCCC=CCCCCCCCC(=O)OCCO,,0,1,,,0,1 | |
| 5259 Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34,0,0,0,0,0,0,0 | |
| 5260 OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,,0,0,0,0,0 | |
| 5261 CN1C(=O)NC(=O)c2c1ncn2C,0,0,0,0,0,0,0 | |
| 5262 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,0,0,0,0,,0 | |
| 5263 CC(C)(Oc1ccc(Cl)cc1)C(=O)O,0,0,0,0,0,,0 | |
| 5264 NC(=N)c1ccc(OCCCOc2ccc(cc2Br)C(=N)N)c(Br)c1,1,1,1,0,,,1 | |
| 5265 O=C(OCc1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 5266 C1CCC(CC1)NC2CCCCC2,0,0,0,0,0,0,0 | |
| 5267 CC(=O)Oc1ccc2C3CCC4(C)C(O)CCC4C3CCc2c1,1,1,1,0,,0,1 | |
| 5268 Cc1ccc(O)cc1C,0,0,0,0,0,0,0 | |
| 5269 CC=CC=CCOC(=O)C(C)C,0,0,1,,,,1 | |
| 5270 CCC1=NN(CCCN2CCN(CC2)c3cccc(Cl)c3)C(=O)N1CCOc4ccccc4,,1,,,,,1 | |
| 5271 COc1cc(cc(OC)c1O)C2C3C(COC3=O)C(OC4OC5COC(OC5C(O)C4O)c6cccs6)c7cc8OCOc8cc27,1,1,1,,1,,1 | |
| 5272 NC(C(=O)N1C(CC2CC12)C#N)C34CC5CC(CC(O)(C5)C3)C4,0,,0,0,0,,0 | |
| 5273 C=CC(=O)OCCOCCOC(=O)C=C,1,1,1,,,1,1 | |
| 5274 COC1OC(CO)C(O)C(O)C1O,0,0,0,0,0,0,0 | |
| 5275 FC(F)(F)c1cccc(Cl)c1,0,0,0,0,0,0,0 | |
| 5276 COC1CC(OC2C(C)OC(CC2OC)OC3C(C)C=CC=C4COC5C(O)C(=CC(C(=O)OC6CC(CC=C3C)OC7(C6)OC(C8CCCCC8)C(C)C=C7)C45O)C)OC(C)C1O,0,,,0,,,0 | |
| 5277 CC(C)c1cc(Cl)c(C)cc1O,0,0,0,0,0,0,0 | |
| 5278 CC1(C)CC(N)CC(C)(CN)C1,0,0,0,0,0,0,0 | |
| 5279 NCCCN(CCO)CCO,,0,0,0,0,0,0 | |
| 5280 CCC(C)C1OC2(CC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(NC(=O)C)C(C)O5)C(C)O4)C(C)C=CC=C6COC7C(O)C(=CC(C(=O)O3)C67O)C)O2)C=CC1C,1,1,,,,,1 | |
| 5281 Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1,0,0,,0,,0,0 | |
| 5282 Clc1ccc(cn1)C(Cl)(Cl)Cl,0,,0,,0,0,0 | |
| 5283 CC(=O)c1ccc(Cl)c(Cl)c1Cl,0,0,0,0,0,0,0 | |
| 5284 CCCCc1c(C)nc(NCC)nc1O,0,0,0,0,0,0,0 | |
| 5285 CCc1cc(c2cc(cccc12)C(C)C)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 5286 CC(=O)Oc1ccccc1C(=O)O,0,0,0,0,0,0,0 | |
| 5287 COC(=O)c1ccc(OC)cc1,0,0,0,,0,,0 | |
| 5288 CN1C(=O)N(C)c2ncn(C)c2C1=O,0,0,0,0,0,0,0 | |
| 5289 Cc1cc2N=C3C=CC(=[N+](C)C)C=C3Sc2cc1N,,,,,,0,0 | |
| 5290 CC1=CC(=C(c2ccc(N)cc2)c3ccc(N)cc3)C=CC1=N,1,,0,,,,1 | |
| 5291 CC(=O)OCc1occc1,0,0,0,0,0,0,0 | |
| 5292 N#CCC#N,1,0,,,,,1 | |
| 5293 CCCC(CCC)C(=O)O,0,0,0,0,0,0,0 | |
| 5294 COc1ccc(cc1)n2nc(CCC(=O)N(C)O)cc2c3ccc(Cl)cc3,,1,,,,1,1 | |
| 5295 NC(=O)CCCCC(=O)N,0,0,0,0,0,0,0 | |
| 5296 COc1ccc(cc1)C(=O)C,0,,0,0,0,0,0 | |
| 5297 CCN1CN(CC)CN(CC)C1,0,0,0,0,0,0,0 | |
| 5298 CCCCCCCCCCCCC,0,0,0,0,0,0,0 | |
| 5299 S=C1NCCN1,0,0,0,0,0,0,0 | |
| 5300 Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1,0,0,,0,,0,0 | |
| 5301 OCCOC(=O)C=C,1,,1,0,0,0,1 | |
| 5302 CCOc1ccc(NC(=O)CC(C)O)cc1,0,0,0,0,0,0,0 | |
| 5303 Clc1nc2ccccc2nc1Cl,,,0,,,1,1 | |
| 5304 COCCOCCOCCOCCO,0,0,0,0,0,0,0 | |
| 5305 CC(Cc1ccccc1)NCCn2cnc3N(C)C(=O)N(C)C(=O)c23,0,,0,0,0,0,0 | |
| 5306 Nc1c2C(=O)c3ccccc3C(=O)c2c(Br)cc1S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 5307 CC#CCC(C)C(O)C=CC1C(O)CC2CC(=CCCCC(=O)O)CC12,0,,0,0,0,,0 | |
| 5308 SC1CCCC1,0,0,0,0,0,0,0 | |
| 5309 CC(O)C(=O)O,0,0,0,0,0,0,0 | |
| 5310 CC1CCC(C=C(C)C(=O)O)C2=C(C)CCC12,,,,0,,,0 | |
| 5311 CCCCNC(=O)N,0,0,0,0,0,0,0 | |
| 5312 CCOP(=S)(OCC)SCN1N=Nc2ccccc2C1=O,,1,,,,,1 | |
| 5313 ClC(Cl)(Cl)c1ccccc1,0,0,0,0,0,0,0 | |
| 5314 CCC[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 5315 CC1(C)CC(O)CC(C)(C)N1,0,0,0,0,,0,0 | |
| 5316 NC1=NC(=N)c2cc3ccccc3cc12,1,1,,,,,1 | |
| 5317 CC(=O)OCC[N+](C)(C)C,0,0,0,0,0,0,0 | |
| 5318 CNC(=O)Oc1cc(C)c(SC)c(C)c1,,1,,,,,1 | |
| 5319 [O-][N+](=O)c1ccccc1C(F)(F)F,0,0,0,0,0,0,0 | |
| 5320 CNC(=O)Oc1ccc2N(C)C3N(C)CCC3(C)c2c1,0,0,,0,0,0,0 | |
| 5321 CCC1(CCC(O1)C2(C)CCC3(CC(O)C(C)C(O3)C(C)C(OC)C(C)C(=O)O)O2)C4OC(CC4C)C5OC(O)(CO)C(C)CC5C,1,,,0,,,1 | |
| 5322 COC(=O)c1ccc(O)cc1,0,0,0,0,0,0,0 | |
| 5323 OCC1OC2C(OC3=NC(=N)C=CN23)C1O,0,0,1,0,,0,1 | |
| 5324 OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO,,,0,0,0,0,0 | |
| 5325 COC(=O)CC#N,0,0,0,0,0,0,0 | |
| 5326 CC1CC(=O)O1,0,0,0,0,0,0,0 | |
| 5327 CC(C)CCCC(C)CC=CC(=CC(=O)OCC#C)C,,0,,0,0,0,0 | |
| 5328 CCOC(C)OCCC=CCC,0,,0,0,0,0,0 | |
| 5329 CCOC(=O)c1ccccc1OC,0,0,0,0,0,0,0 | |
| 5330 CCN(C(C)C)C(=O)c1cc(C)cc(OCC(C)Nc2ccncc2)c1,0,,,0,,0,0 | |
| 5331 CCOC1OC(C(COCc2ccccc2)OCc3ccccc3)C(OCc4ccccc4)C1O,0,,0,0,,0,0 | |
| 5332 COCCOC(=O)CC#N,0,0,,0,0,,0 | |
| 5333 NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,1,1,,1,0,,1 | |
| 5334 Cc1cc(C)cc(C)c1,0,0,0,0,0,0,0 | |
| 5335 CCCCON=O,0,0,0,0,0,0,0 | |
| 5336 CN1CCCN=C1C=Cc2sccc2C,,0,0,0,0,0,0 | |
| 5337 OCc1c[nH]c2ccccc12,,1,,1,,1,1 | |
| 5338 CCSCCCl,0,0,0,0,0,,0 | |
| 5339 CC(=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C)C,0,0,1,0,0,,1 | |
| 5340 CC(C)C(=O)OC1=C(C)OC=CC1=O,0,0,0,0,0,0,0 | |
| 5341 CCNC1CC(N)C(OC2OC(=CCC2N)CN)C(O)C1OC3OCC(C)(O)C(NC)C3O,0,0,0,0,0,0,0 | |
| 5342 CCCCOCNC(=O)C=C,0,0,0,0,0,0,0 | |
| 5343 ON=C1CCCC1,0,0,,0,0,0,0 | |
| 5344 COCCCN,0,0,0,0,0,0,0 | |
| 5345 CCCCC(CC)COC(=O)COc1ccc(Cl)cc1C,,0,0,0,0,0,0 | |
| 5346 C1COCO1,0,0,0,0,0,0,0 | |
| 5347 CC(C)OC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 5348 COCC(C)N,0,0,0,0,0,0,0 | |
| 5349 CCC(C)C(=O)C,0,0,0,0,0,0,0 | |
| 5350 OCC(O)CCl,0,0,0,0,0,0,0 | |
| 5351 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,0,0,0,0,0,0,0 | |
| 5352 NC(=N)NCC1COc2ccccc2O1,0,,0,0,0,,0 | |
| 5353 O=C(Oc1cccc2cccnc12)c3ccccc3,,,,,,1,1 | |
| 5354 NC(CCC(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 5355 COC(=O)C(C)N(C(=O)Cc1ccccc1)c2c(C)cccc2C,1,0,,0,,,1 | |
| 5356 CCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C,,,0,0,,,0 | |
| 5357 Nc1ccccc1S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 5358 CC1(C)SC2C(N=CN3CCCCCC3)C(=O)N2C1C(=O)O,,0,1,1,0,0,1 | |
| 5359 CCCCc1ccc(O)cc1,,0,0,,,0,0 | |
| 5360 Nc1ncnc(Nc2ccccc2)n1,,1,0,1,0,0,1 | |
| 5361 Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl,0,,,0,1,1,1 | |
| 5362 CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,0,0,0,0,0,0,0 | |
| 5363 [O-][N+](=O)C=Cc1ccccc1,1,1,1,,,,1 | |
| 5364 [O-][N+](=O)c1cc(C=O)ccc1Cl,,,,,,0,0 | |
| 5365 CCCCC(CC)CO[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 5366 COCCCOc1cc(CC(CC(N)C(O)CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)C(C)C)ccc1OC,0,0,0,0,0,0,0 | |
| 5367 COc1cc(O)c(cc1S(=O)(=O)O)C(=O)c2ccccc2,0,0,0,0,0,0,0 | |
| 5368 COc1cc(cc(OC)c1OC)C(=O)OC(COCCC(C)C)CN2CCOCC2,0,,0,0,0,0,0 | |
| 5369 C=CC(=O)NCNC(=O)C=C,1,1,0,1,0,,1 | |
| 5370 CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 5371 Cc1cc(C)c(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)c(C)c1,0,0,,0,0,,0 | |
| 5372 Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2,1,1,1,1,,0,1 | |
| 5373 CCC(CC)C=O,0,0,,0,0,0,0 | |
| 5374 CC(C)C(C)(N)C#N,0,0,0,0,0,0,0 | |
| 5375 CCOP(=O)(SC(C)CC)N1CCSC1=O,0,0,0,0,,0,0 | |
| 5376 CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,0,0,0,0,0,0,0 | |
| 5377 Clc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCC2,0,0,0,0,0,0,0 | |
| 5378 OC(=O)C(=O)Nc1cccc(c1)c2nn[nH]n2,0,0,0,0,0,0,0 | |
| 5379 COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O,0,0,0,0,0,0,0 | |
| 5380 CC1(C)CON(Cc2ccccc2Cl)C1=O,0,0,0,0,0,0,0 | |
| 5381 CC(=O)Nc1ccc(C)cc1,,0,,0,0,0,0 | |
| 5382 CSc1ccc(Oc2ccc(cc2CN(C)C)S(=O)(=O)N)cc1C,,,0,,,,0 | |
| 5383 CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(C)C)CC(=O)NO,1,,1,0,0,,1 | |
| 5384 CC(C)CCCC(C)(C)O,,0,0,0,0,0,0 | |
| 5385 OC(=O)Cc1c[nH]c2ccccc12,0,0,0,0,0,0,0 | |
| 5386 CC(C)C1CCC(C)CC1=O,0,0,0,0,0,0,0 | |
| 5387 COc1ccc(N)c(C)c1,0,0,0,0,0,0,0 | |
| 5388 OC(=O)C1CCN(CC1)c2ccc(F)cc2NC(=O)NC(=O)c3cc(F)c(F)cc3Cl,0,,,0,0,1,1 | |
| 5389 N#CC1(CCCCC1)N=NC2(CCCCC2)C#N,0,0,0,0,0,0,0 | |
| 5390 Cc1cc2nc(N)sc2cc1C,1,1,,1,,0,1 | |
| 5391 CC[n+]1ccccc1,0,0,0,0,0,0,0 | |
| 5392 OC(=O)COc1ccc2ccccc2c1,,0,0,0,0,0,0 | |
| 5393 O=S1(=O)CC=CC1,0,0,0,0,0,0,0 | |
| 5394 COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C,,0,0,0,,0,0 | |
| 5395 NC1(CCC1)c2ccc(cc2)c3nc4ccn5c(O)nnc5c4cc3c6ccccc6,,1,1,0,,,1 | |
| 5396 CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl,0,0,0,0,,0,0 | |
| 5397 CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,,0,1,,1,0,1 | |
| 5398 Clc1cc(Cl)c2CN3CCCCCC3=Nc2c1,,1,0,1,,,1 | |
| 5399 Nc1ccc(cc1)S(=O)(=O)Nc2ccccc2,0,0,0,0,0,0,0 | |
| 5400 [O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 5401 CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,0,0,0,0,0,0,0 | |
| 5402 O=CCCCC=O,0,1,,0,0,1,1 | |
| 5403 Fc1ccc(cc1Cl)C(=O)Cl,0,0,0,0,0,0,0 | |
| 5404 Cc1ccc(cc1)S(=O)(=O)NC(CCCCN)C(=O)CCl,1,,,0,,,1 | |
| 5405 Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1,0,0,0,0,0,0,0 | |
| 5406 C(Oc1ccc(cc1)N(CC2CO2)CC3CO3)C4CO4,1,1,,,1,,1 | |
| 5407 [O-][N+](=O)c1cnc(s1)N2CCNC2=O,0,,0,0,0,,0 | |
| 5408 OC(=O)c1cccnc1,0,0,0,0,0,0,0 | |
| 5409 COc1ccccc1OCCNCC(O)COc2cccc3[nH]c4ccccc4c23,,,0,0,,,0 | |
| 5410 CCCCCC(=O)O,0,0,0,0,0,0,0 | |
| 5411 COCC(=O)O,0,0,0,0,0,0,0 | |
| 5412 [O-][N+](=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,,0,,0,0,1,1 | |
| 5413 Cc1cc(Cl)ccc1OCC(=O)O,0,0,0,0,0,0,0 | |
| 5414 CC(=O)CC(=O)OC(C)(C)C,0,0,0,0,0,0,0 | |
| 5415 CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C,1,1,1,,,1,1 | |
| 5416 CC(=O)C(=O)C,0,0,0,0,0,0,0 | |
| 5417 CCCCCCCCCCCCOC(=O)C,0,0,0,0,0,0,0 | |
| 5418 ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl,0,0,,,,0,0 | |
| 5419 CN1N(C(=O)C(=C1C)I)c2ccccc2,0,0,0,0,0,0,0 | |
| 5420 NCc1ccc(cc1)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 5421 CC12OC(CC1(O)CO)n3c4ccccc4c5c6C(=O)NCc6c7c8ccccc8n2c7c35,1,,,1,,1,1 | |
| 5422 NCCNCCN,0,0,0,0,0,0,0 | |
| 5423 COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C1OC3OC(C)C(OC4CC(C)(O)C(O)C(C)O4)C(C3O)N(C)C,0,,0,0,0,,0 | |
| 5424 CCOC(=O)CC(CC(=O)OCC)(OC(=O)C)C(=O)OCC,0,0,0,0,0,0,0 | |
| 5425 CCc1nccnc1CC,0,0,0,0,0,0,0 | |
| 5426 ClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl,0,0,0,0,,0,0 | |
| 5427 CCOP(=S)(OC(C)C)Oc1cnc(nc1)C(C)(C)C,,0,0,,,0,0 | |
| 5428 CC(C)(C)c1ccccc1,0,0,0,0,0,0,0 | |
| 5429 Cc1ccc(C)c(N)c1,0,0,0,0,0,0,0 | |
| 5430 CC1(O)CSC(C)(O)CS1,0,0,0,,0,,0 | |
| 5431 OC(=O)COCC(=O)O,0,0,0,0,0,0,0 | |
| 5432 CCCOCCC,0,0,0,0,0,0,0 | |
| 5433 CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,0,0,0,0,0,0,0 | |
| 5434 NC(=O)C1CCCN1C(=O)C(Cc2c[nH]cn2)NC(=O)C3CCC(=O)N3,0,,0,0,0,,0 | |
| 5435 CC(O)C1NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5ccccc5)NC(=O)C(Cc6ccccc6)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CSSCC(NC(=O)C(CO)NC1=O)C(=O)O)NC(=O)CNC(=O)C(C)N)C(C)O,0,,0,0,0,,0 | |
| 5436 OC(=O)C=Cc1ccc(C=CC(=O)O)cc1,0,0,0,0,0,0,0 | |
| 5437 CCC[N+]1(C)CCCC1,0,0,0,0,0,0,0 | |
| 5438 COc1ccc(cc1)C2=COc3cc(O)ccc3C2=O,1,1,,1,0,0,1 | |
| 5439 CCCC1CCC(=O)CC1,0,0,,0,0,0,0 | |
| 5440 C[N+]1([O-])CCOCC1,0,0,0,0,0,0,0 | |
| 5441 CCN(CC)C1CCCCC1,0,0,0,0,0,0,0 | |
| 5442 CCCCC(CC)COC(=O)Cl,0,0,0,0,0,0,0 | |
| 5443 OCC(O)c1ccccc1,0,0,0,0,0,0,0 | |
| 5444 CCCCCCc1ccc(cc1)c2ccc(cc2)C#N,0,,0,0,0,0,0 | |
| 5445 CCCCOC(CC)OC(C)COC(O)CC,0,0,0,0,0,0,0 | |
| 5446 CNCCCC1c2ccccc2C=Cc3ccccc13,0,0,0,0,,,0 | |
| 5447 O=C1C(C(=O)c2ccccc12)c3ccc4ccccc4n3,,1,0,,0,,1 | |
| 5448 CNC(=NC)NCc1ccccc1,0,,0,0,,,0 | |
| 5449 CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl,0,0,0,0,0,0,0 | |
| 5450 O=C1c2ccccc2Cc3ccccc13,,1,0,,,0,1 | |
| 5451 CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1,0,0,0,0,0,,0 | |
| 5452 COc1cc(cc(C(=O)NCC2CCCN2CC=C)c1OC)S(=O)(=O)N,,,0,0,0,,0 | |
| 5453 CC[N+](C)(CC)CC,0,0,0,0,0,,0 | |
| 5454 CCC[N+](CCC)(CCC)CCC,0,0,0,0,0,0,0 | |
| 5455 COc1ccc(cc1F)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)F,0,0,0,0,0,0,0 | |
| 5456 CS(=O)(=O)Cl,0,0,0,0,0,0,0 | |
| 5457 CC(=CC(=O)C)C,0,0,0,0,0,0,0 | |
| 5458 ClCC1CO1,0,0,0,0,0,0,0 | |
| 5459 CCc1cnc(C(=O)O)c(c1)C(=O)O,0,0,0,0,0,0,0 | |
| 5460 O=C1c2ccccc2c3ccccc13,0,0,0,0,0,0,0 | |
| 5461 CN(CCO)CC(O)Cn1cnc2N(C)C(=O)N(C)C(=O)c12,0,,0,0,0,,0 | |
| 5462 CCCCC(CC)COC(=O)OOC(C)(C)C,0,0,0,0,0,0,0 | |
| 5463 CCCC=O,0,0,0,0,0,0,0 | |
| 5464 Oc1ccc(Cl)cc1C(=O)c2ccccc2,,1,0,1,,0,1 | |
| 5465 O=CC=Cc1ccccc1,0,,0,0,0,0,0 | |
| 5466 Cc1onc(c2ccccc2)c1c3ccc(cc3)S(=O)(=O)N,1,,0,0,0,0,1 | |
| 5467 NCCc1cc[nH]n1,0,0,,0,0,0,0 | |
| 5468 COC1(NC(=O)CSCC(N)C(=O)O)C2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C,0,0,0,0,0,0,0 | |
| 5469 CCC(NC(C)C)C(O)c1ccc(O)c2nc(O)ccc12,0,0,0,0,0,0,0 | |
| 5470 CC(C)(O)C#N,0,0,0,0,0,0,0 | |
| 5471 CCC(C1OC(C(C)C(O)C(C)C(=O)C(CC)C2OC3(OC4(CCC(C)(O4)C5CCC(O)(CC)C(C)O5)C(O)C=C3)C(C)CC2C)C(C)CC1C)C(=O)O,,,,0,,1,1 | |
| 5472 Nc1ccc(cc1)C(=O)OCCCOC(=O)c2ccc(N)cc2,1,,,1,,1,1 | |
| 5473 COc1ccccc1OC(=O)Oc2ccccc2OC,0,0,0,0,,0,0 | |
| 5474 OC(=O)C1(CCC1)C(=O)O,0,0,0,0,0,0,0 | |
| 5475 O=C1c2ccccc2CCc3ccccc13,0,1,0,,0,0,1 | |
| 5476 CC(C)CC#N,0,,0,0,0,0,0 | |
| 5477 COC(=O)c1ccccc1C,0,0,0,0,0,0,0 | |
| 5478 O=C(NCN1CCOCC1)c2cnccn2,0,0,0,0,0,0,0 | |
| 5479 CC1(C)SC2C(N)C(=O)N2C1C(=O)O,0,,0,0,0,,0 | |
| 5480 CCC(C(=O)OCCOCCN(CC)CC)c1ccccc1,0,0,0,0,,0,0 | |
| 5481 CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O,0,0,0,,0,0,0 | |
| 5482 CCN(CC)C(=O)N(CC)CC,0,0,0,0,0,0,0 | |
| 5483 OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23,0,,0,1,0,0,1 | |
| 5484 Nc1cccc2C(=O)N(Cc12)C3CCC(=O)NC3=O,0,0,0,0,0,0,0 | |
| 5485 OCCc1ccncc1,0,0,0,0,0,0,0 | |
| 5486 Nc1cc(ccc1O)[N+](=O)[O-],0,0,0,,0,0,0 | |
| 5487 CCOC(=O)C1=NOC(C1)(c2ccccc2)c3ccccc3,0,0,0,,0,0,0 | |
| 5488 Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 5489 COC(=O)CCC(=O)O,0,0,0,0,0,0,0 | |
| 5490 CC(=O)OC1CC2CCC3C(CCC4(C)C3CC(C4OC(=O)C)N5CC[N+](C)(C)CC5)C2(C)CC1N6CC[N+](C)(C)CC6,0,,0,0,0,,0 | |
| 5491 [O-][N+](=O)c1cc[n+]([O-])cc1,1,,0,,,0,1 | |
| 5492 CCN(CC)c1cccc(O)c1,,1,,0,0,0,1 | |
| 5493 CCNc1nc(N)nc(Cl)n1,0,0,0,0,,0,0 | |
| 5494 OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0,0,0,0,0,0,0 | |
| 5495 CC(C)(C)c1cccc(c1O)C(C)(C)C,0,0,0,0,,0,0 | |
| 5496 CC(=O)Nc1ccc(cc1)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 5497 O=C(CN1CCN(Cc2ccc3OCOc3c2)CC1)N4c5ccccc5Sc6ccccc46,,0,,0,,,0 | |
| 5498 CC(NCCc1ccc(O)cc1)C(O)c2ccc(O)cc2,0,,0,0,,,0 | |
| 5499 [O-][N+](=O)c1ccc(CBr)cc1,0,0,0,0,0,,0 | |
| 5500 CCCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl,1,1,0,1,,0,1 | |
| 5501 C=CC#N,0,0,0,0,0,0,0 | |
| 5502 CCCCC(=O)OCC(=O)C1(O)CC(OC2CC(NC(=O)C(F)(F)F)C(O)C(C)O2)c3c(O)c4C(=O)c5c(OC)cccc5C(=O)c4c(O)c3C1,1,1,1,1,,,1 | |
| 5503 CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)O,0,0,0,0,0,,0 | |
| 5504 Nc1ccncc1,0,0,0,0,0,0,0 | |
| 5505 CCC(=O)OC(Cc1ccccc1)(C(C)CN(C)C)c2ccccc2,0,,0,0,0,,0 | |
| 5506 CC(Cc1ccccc1)NCCC(c2ccccc2)c3ccccc3,,,0,,,,0 | |
| 5507 CC(C)(C)c1cc(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C,0,0,0,0,0,0,0 | |
| 5508 Cc1cccc(c1)C(=O)O,0,0,0,0,0,0,0 | |
| 5509 OC(CC(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 5510 CNCCCC12CCC(c3ccccc13)c4ccccc24,1,,0,,,1,1 | |
| 5511 CCCCCCCCCCCCC1CO1,0,0,0,0,0,0,0 | |
| 5512 CC(C)(C)NSc1nc2ccccc2s1,,0,0,1,0,1,1 | |
| 5513 CC(C)(C)C(O)C=Cc1ccc2OCOc2c1,,0,0,0,0,0,0 | |
| 5514 CC1OC(=O)CC(O)CC(O)CCC(O)C(O)CC(O)CC2(O)CC(O)C(C(CC(OC3OC(C)C(O)C(N)C3O)C=CC=CC=CC=CC=CC=CC=CC(C)C(O)C1C)O2)C(=O)O,0,0,,0,0,,0 | |
| 5515 OC(=O)c1ccccc1C(=C2C=C(I)C(=O)C(=C2)I)c3cc(I)c(O)c(I)c3,,1,1,0,,,1 | |
| 5516 CCCC(=O)OC(C)(C)Cc1ccccc1,0,0,0,0,0,0,0 | |
| 5517 CC(=O)C=CC1C(=CCCC1(C)C)C,0,0,0,0,0,0,0 | |
| 5518 ClCCOCCCl,0,0,0,0,0,0,0 | |
| 5519 CC=C(C)C(=O)OCCc1ccccc1,0,0,0,0,0,0,0 | |
| 5520 CN1C2CCC1CC(C2)OC(=O)c3cc(C)cc(C)c3,,,0,0,,,0 | |
| 5521 CC(N(O)C(=O)N)c1cc2ccccc2s1,0,0,0,0,0,,0 | |
| 5522 NC1=C(NCC=CCOc2cc(CN3CCCCC3)ccn2)C(=O)C1=O,0,0,0,0,0,0,0 | |
| 5523 Brc1c2ccccc2c(Br)c3ccccc13,,,1,0,0,1,1 | |
| 5524 Cc1cc(c(C)cc1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)cc4C,0,1,1,,0,0,1 | |
| 5525 NC(=O)c1ccccc1C(=O)N,0,0,0,0,,0,0 | |
| 5526 COC1COCCC1NC2CCC(C2)(C(C)C)C(=O)N3CCc4ncc(cc4C3)C(F)(F)F,0,,0,0,0,0,0 | |
| 5527 CON=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)Cn3nnc(C)n3)c4csc(N)n4,0,0,0,0,0,0,0 | |
| 5528 OCCCCCCCl,0,0,0,0,0,0,0 | |
| 5529 Clc1ccc(CCC(Cn2ccnc2)Sc3c(Cl)cccc3Cl)cc1,,,,1,,,1 | |
| 5530 OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4,0,0,0,0,,,0 | |
| 5531 Oc1ccc2c(Oc3cc(O)ccc3C24OC(=O)c5ccccc45)c1,,,,0,0,1,1 | |
| 5532 CC(=C)c1cccc(c1)C(=C)C,0,0,0,0,0,0,0 | |
| 5533 OCC1OC(C(O)C1O)n2cnc3c(S)ncnc23,1,1,1,1,,,1 | |
| 5534 Cc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],,,1,,,1,1 | |
| 5535 CC(C)(C)C1CCC(O)CC1,0,0,0,0,0,0,0 | |
| 5536 CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO,1,1,1,1,0,,1 | |
| 5537 OP(=O)(O)OP(=O)(O)O,0,0,0,0,0,0,0 | |
| 5538 CCCCCC1CCC(=O)O1,0,0,0,0,0,0,0 | |
| 5539 BrCBr,0,0,0,0,0,0,0 | |
| 5540 S=C=NCc1ccccc1,,,0,0,0,1,1 | |
| 5541 COc1ccccc1OCC2CNC(=O)O2,0,0,0,0,0,0,0 | |
| 5542 COc1c(c(C)c(cc1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-],0,1,0,,0,0,1 | |
| 5543 CN=C=S,0,0,0,0,0,0,0 | |
| 5544 CCOc1ccc(NC(=O)C)cc1,0,0,0,0,0,0,0 | |
| 5545 COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,0,0,0,0,0,0,0 | |
| 5546 CC1(C)N(Br)C(=O)N(Cl)C1=O,0,0,0,0,0,0,0 | |
| 5547 CCC(=O)OC1(CCN(C)CC1C)c2ccccc2,0,,0,0,,,0 | |
| 5548 COc1cc(ccc1N)c2ccc(N)c(OC)c2,1,,0,,0,0,1 | |
| 5549 Clc1ccc(cc1)C(=O)NCCCN2CCOCC2,,,0,,0,0,0 | |
| 5550 OC(=O)C1(CC1)C(=O)Nc2ccc(Cl)cc2Cl,1,,0,,1,1,1 | |
| 5551 CC1=CC(=O)C2CC1C2(C)C,0,0,0,0,0,0,0 | |
| 5552 FC(F)(F)C(=O)Nc1ccc2c(Cc3ccccc23)c1,,1,0,1,0,0,1 | |
| 5553 Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c3ccccc3)c(C)c1,0,,0,0,0,0,0 | |
| 5554 CCCCCCCCCC[n+]1ccn(CCCCCCCCCC)c1C,1,1,,1,,,1 | |
| 5555 CCC(=O)OC1(C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)CCl,1,,1,,1,,1 | |
| 5556 C[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 5557 CC(C)NCC(O)COc1cc(C)c(OC(=O)C)c(C)c1C,1,1,1,1,0,,1 | |
| 5558 CCCCCC=CCCC=O,0,0,0,0,0,0,0 | |
| 5559 Oc1c(ccc2c(cccc12)S(=O)(=O)O)[N+]#N,0,,0,0,0,0,0 | |
| 5560 Cc1ccc(S)cc1,0,,0,0,0,,0 | |
| 5561 COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC12,0,0,0,0,0,0,0 | |
| 5562 CC12CCC3C(CCC4=C3CCC(=O)C4)C1CCC2(O)C#C,1,1,1,0,1,,1 | |
| 5563 CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12,1,,0,,,1,1 | |
| 5564 Oc1cc2CC3(O)COc4c(O)c(O)ccc4C3c2cc1O,,,0,,,0,0 | |
| 5565 CCCCCCO,0,0,0,0,0,0,0 | |
| 5566 COc1cc2CC[N+](C)(CCCOC(=O)CCC=CCCC(=O)OCCC[N+]3(C)CCc4cc(OC)c(OC)cc4C3Cc5cc(OC)c(OC)c(OC)c5)C(Cc6cc(OC)c(OC)c(OC)c6)c2cc1OC,0,,0,0,0,,0 | |
| 5567 COCC(C)O,0,0,0,0,0,0,0 | |
| 5568 O=C(OCc1ccccc1)N=NC(=O)OCc2ccccc2,,1,0,,,,1 | |
| 5569 CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F,1,1,0,0,,,1 | |
| 5570 COc1cc(CC(C)N)cc2OCOc12,0,,0,0,0,0,0 | |
| 5571 CC1=CN(C(=O)C=C1)c2ccccc2,0,0,0,0,,0,0 | |
| 5572 CCCOC(=O)c1ccccc1O,0,,0,0,,,0 | |
| 5573 Oc1c([nH]c2ccccc12)C3=Nc4ccccc4C3=O,0,0,0,0,0,0,0 | |
| 5574 ClC(=C(Cl)Cl)Cl,0,,0,0,0,0,0 | |
| 5575 CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)C(O)C(OC(=O)C)(C(C(OC)C23)C14)C5C6OC(=O)c7ccccc7,0,,0,0,0,,0 | |
| 5576 CCOC(=O)C=CC(=O)O,0,0,0,0,,0,0 | |
| 5577 C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,1,1,,,,1,1 | |
| 5578 CN(C)CCN(C)C,0,0,,0,0,0,0 | |
| 5579 CC(=O)OC1CC2CCC3C(CCC4(C)C3CC(C4OC(=O)C)[N+]5(C)CCCCC5)C2(C)CC1[N+]6(C)CCCCC6,0,,0,0,0,,0 | |
| 5580 CC(=O)OC1CCCCC1C(C)(C)C,0,0,0,0,0,0,0 | |
| 5581 CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC12C,1,,1,0,0,0,1 | |
| 5582 Cc1cc(C)cc(OCC2CNC(=O)O2)c1,0,0,0,0,0,0,0 | |
| 5583 CC=CC(=O)O,0,0,0,0,0,0,0 | |
| 5584 C=CCCC=C,0,0,0,0,0,0,0 | |
| 5585 CN(CCOc1ccc(NS(=O)(=O)C)cc1)CCc2ccc(NS(=O)(=O)C)cc2,1,,1,1,0,0,1 | |
| 5586 COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl,,1,1,,1,,1 | |
| 5587 CC(C)(C)NC(=O)C=C,0,0,0,0,,0,0 | |
| 5588 CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2ccnc2,,0,0,1,0,0,1 | |
| 5589 CC(O)Cn1cnc2N(C)C(=O)N(C)C(=O)c12,0,0,0,0,0,0,0 | |
| 5590 CCN(CC)C(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34,0,,0,0,,0,0 | |
| 5591 Nc1ccccc1C(=O)Oc2ccc3ccccc3c2,1,1,0,1,,0,1 | |
| 5592 Cc1c(C)c(c(c(c1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],0,0,0,,,,0 | |
| 5593 CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 5594 NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O,0,0,0,0,0,0,0 | |
| 5595 NCCS(=O)(=O)O,,0,0,0,0,0,0 | |
| 5596 OC(=O)c1ccc(OCCn2ccnc2)cc1,0,,0,0,0,,0 | |
| 5597 ClC(Cl)(Br)Br,0,0,0,0,,0,0 | |
| 5598 [O-][N+](=O)c1ccc(CCl)cc1,0,,0,0,0,,0 | |
| 5599 NCCOCCN,0,0,0,0,0,0,0 | |
| 5600 Clc1ccccc1Nc2nc(Cl)nc(Cl)n2,0,0,0,0,0,0,0 | |
| 5601 CC(C)OC(=O)CCC(=O)OC(C)C,0,0,0,0,0,0,0 | |
| 5602 CCC(C)(C)C(=O)O,,0,0,0,0,0,0 | |
| 5603 CCN1C=C(C(=O)O)C(=O)c2ccc(C)nc12,0,0,0,0,0,0,0 | |
| 5604 CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2,,0,0,,,0,0 | |
| 5605 CC(N)(Cc1ccc(O)c(O)c1)C(=O)O,0,0,0,0,0,0,0 | |
| 5606 CCC=CCC=CCC=CCCCCCCCC(=O)O,0,0,,0,,1,1 | |
| 5607 CN(N=O)c1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,,0 | |
| 5608 Cc1cccc(C)c1NC(=O)c2cc(c(Cl)cc2O)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 5609 OC(=O)c1ccc2C(=O)OC(=O)c2c1,0,0,0,0,0,0,0 | |
| 5610 O=C(C(=O)c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 5611 C1CCCNCCC1,0,0,0,0,0,0,0 | |
| 5612 Oc1nc2ccccc2n1CCCN3CCC(CC3)n4c(O)nc5cc(Cl)ccc45,,1,0,0,,0,1 | |
| 5613 CC(C)CCOC(=O)C,0,0,0,0,0,0,0 | |
| 5614 CCOC(=O)Cn1cccc1c2nc(c3ccc(OC)cc3)c(s2)c4ccc(OC)cc4,0,,0,0,,0,0 | |
| 5615 Fc1ccc(C=O)cc1,0,0,0,0,0,0,0 | |
| 5616 BrCC=C,0,0,0,,0,0,0 | |
| 5617 CC(=C)C1CC=C(C)C(=O)C1,0,0,0,0,0,0,0 | |
| 5618 Nc1nc(O)c2c(CCc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)c[nH]c2n1,0,,0,0,,,0 | |
| 5619 CC(C)NC(C)Cc1ccc(I)cc1,0,,0,0,,,0 | |
| 5620 OCC(O)C(CO)OCn1ccnc1[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 5621 Nc1ccc(cc1)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 5622 CC1=CN(C2OC(CO)C=C2)C(=O)NC1=O,0,0,0,0,0,0,0 | |
| 5623 OC(=O)CCCCCCCCC=C,0,0,0,0,,0,0 | |
| 5624 Clc1nc(Cl)nc(Cl)n1,0,0,0,0,0,0,0 | |
| 5625 CC(=O)OCCN(CCOC(=O)C)c1ccc(cc1)N=Nc2ccc(cc2C#N)[N+](=O)[O-],1,,,0,,,1 | |
| 5626 CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C,0,,0,0,,0,0 | |
| 5627 NC(=O)c1ccncc1,0,0,0,0,0,0,0 | |
| 5628 FC(F)(F)c1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 5629 CC(C(=O)O)c1ccc(C=C2CCCCC2=O)cc1,,1,0,1,0,1,1 | |
| 5630 Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl,,,,0,,,0 | |
| 5631 CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2,0,0,0,0,,0,0 | |
| 5632 CCOC(=O)CS,,0,0,,,,0 | |
| 5633 CC1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc4ccccc4)cc3,1,1,,,1,,1 | |
| 5634 C1CN(CCN1)c2cccc3OCCOc23,0,0,0,0,0,0,0 | |
| 5635 CCC1C(Cc2cncn2C)COC1=O,0,0,0,0,0,0,0 | |
| 5636 CCCCC(CC)COP(=O)(O)O,1,1,,0,,1,1 | |
| 5637 C(Oc1ccccc1C2CC2)C3=NCCN3,0,0,0,0,0,0,0 | |
| 5638 C1c2cccc3ccc4cccc1c4c23,0,,,0,,0,0 | |
| 5639 CN1CSC(=S)N(C)C1,1,1,1,,,,1 | |
| 5640 NC1CCCCC1N,0,0,0,0,,0,0 | |
| 5641 CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,0,0,0,0,0,0,0 | |
| 5642 CN(C)CCCN1c2ccccc2C(C)(C)c3ccccc13,0,,0,0,,,0 | |
| 5643 OC(=O)c1ccc(C=O)cc1,0,0,0,0,0,0,0 | |
| 5644 CCNc1nc(Cl)nc(NCC)n1,0,0,0,0,0,0,0 | |
| 5645 CCOc1cc(OCC)c(cc1OCC)C(=O)C,0,,0,,0,0,0 | |
| 5646 CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,0,,0,0,0,,0 | |
| 5647 CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC,1,,1,0,0,0,1 | |
| 5648 COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1,,1,,,,1,1 | |
| 5649 O=CC=C(c1ccccc1)c2ccccc2,1,1,0,,,,1 | |
| 5650 CCOC(=O)C=C,0,0,0,0,0,0,0 | |
| 5651 COc1ccccc1N=Nc2c(O)c3c(NC(=O)C)cc(cc3cc2S(=O)(=O)O)S(=O)(=O)O,,,0,,,0,0 | |
| 5652 CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O,1,1,0,0,,1,1 | |
| 5653 COC=C(C(=O)OC)c1ccccc1Oc2cc(Oc3ccccc3C#N)ncn2,1,1,,,1,1,1 | |
| 5654 CCOC(=O)NNc1ccc(nn1)N(CC)CC(C)O,0,0,0,0,0,0,0 | |
| 5655 CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C,0,0,0,,,0,0 | |
| 5656 CC1(C)Cc2cccc(O)c2O1,0,0,0,0,0,0,0 | |
| 5657 OC(=O)c1ccc(C(=O)O)c(c1)C(=O)O,0,0,0,0,0,0,0 | |
| 5658 S=C(SSC(=S)N1CCCCC1)N2CCCCC2,,1,,,,,1 | |
| 5659 CCOC(=O)C(CCc1ccccc1)NC2CSC(CN(CC(=O)O)C2=O)c3cccs3,0,0,0,0,,,0 | |
| 5660 Cc1cccc2ccccc12,0,0,0,0,0,0,0 | |
| 5661 FC(F)(F)c1cnc(CNC(=O)c2c(Cl)cccc2Cl)c(Cl)c1,,1,,,,,1 | |
| 5662 CCCCN1CCCC1C(=O)Nc2c(C)cc(C)cc2C,0,,0,0,0,0,0 | |
| 5663 Cc1ccc(cc1)C(C)(C)O,0,0,0,0,0,0,0 | |
| 5664 COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4COc5ccccc5O4,0,,0,0,,,0 | |
| 5665 CC(C)(Nc1nc(Cl)nc(NC2CC2)n1)C#N,0,,0,0,0,0,0 | |
| 5666 CC1=C(C=O)C(C)(C)CC=C1,0,0,0,0,0,0,0 | |
| 5667 CN1CCCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3,,0,0,0,,,0 | |
| 5668 CCCCCCCOC(=O)CCC,0,0,0,0,0,0,0 | |
| 5669 CCCCNCC,0,0,0,0,0,0,0 | |
| 5670 OCC(O)CN1CCN(CC1)c2ccccc2,0,0,0,0,0,0,0 | |
| 5671 CCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)OCCC,0,0,0,0,,,0 | |
| 5672 CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)c3cc(C)ccc3C,1,0,,,,0,1 | |
| 5673 CCC(C)S,0,0,0,0,0,0,0 | |
| 5674 CCCCCC1CCCC(=O)O1,0,0,0,0,0,0,0 | |
| 5675 CC(C)CCCCCCN,0,0,0,0,0,0,0 | |
| 5676 C=COCCOCCOC=C,0,0,0,0,0,0,0 | |
| 5677 CC(c1c[nH]cn1)c2cccc(C)c2C,0,,0,1,0,,1 | |
| 5678 CCOC(=O)N,0,0,0,0,0,0,0 | |
| 5679 CCC(CC)Nc1c(cc(C)c(C)c1[N+](=O)[O-])[N+](=O)[O-],0,0,0,,,0,0 | |
| 5680 CCCCCCC,,0,0,0,0,0,0 | |
| 5681 Cc1ccccc1CCl,0,0,0,0,0,0,0 | |
| 5682 O=C1CCCCCCCCCCCCCCCO1,0,,0,,0,0,0 | |
| 5683 NC(=N)NC(=O)c1nc(Cl)c(N)nc1N,0,0,,0,1,0,1 | |
| 5684 OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,1,1,,,,1,1 | |
| 5685 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1C(=O)COC(=O)C(C)(C)C,1,,1,1,,,1 | |
| 5686 C1CN(CCO1)Sc2nc3ccccc3s2,,,0,,0,0,0 | |
| 5687 O=S1(=O)CCCC1,0,0,0,0,0,0,0 | |
| 5688 Cc1cccc(C)c1NC(=O)CC23CCCN2CCC3,,0,0,1,,0,1 | |
| 5689 CCCCCCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C,1,1,1,0,,,1 | |
| 5690 ClCN1C(=O)c2ccccc2C1=O,0,0,0,0,0,0,0 | |
| 5691 CCCCCC(=O)N,0,0,0,0,0,0,0 | |
| 5692 CCCCCN=C(N)NN=Cc1c[nH]c2ccc(OC)cc12,0,,0,0,0,,0 | |
| 5693 CN1N=C(N)c2cn(C3OC(CO)C(O)C3O)c4ncnc1c24,1,1,,1,,0,1 | |
| 5694 OP(=O)(O)CP(=O)(O)O,0,,0,0,0,,0 | |
| 5695 BrCc1cccc(Oc2ccccc2)c1,,1,,0,0,0,1 | |
| 5696 CCc1ccc(cc1)C(=O)C(C)CN2CCCCC2,0,0,0,,,0,0 | |
| 5697 CC(C)(C)Cl,0,0,0,0,0,0,0 | |
| 5698 CNc1c2CCCCc2nn1C,0,0,0,0,0,0,0 | |
| 5699 CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)CO,1,,1,1,0,0,1 | |
| 5700 CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc2ccccc2Cl,0,0,0,0,0,0,0 | |
| 5701 CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O,0,0,0,0,0,0,0 | |
| 5702 FC(F)(F)C(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 5703 CC1(C)CCC=C2C(C)(C)C3CCC12C3,0,0,0,1,,0,1 | |
| 5704 CCOC(=O)CP(=O)(OCC)OCC,0,0,0,0,0,0,0 | |
| 5705 OC(=O)c1cc(nc2ccccc12)c3ccccc3,,0,0,1,0,1,1 | |
| 5706 O(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 5707 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2,0,0,0,0,0,0,0 | |
| 5708 CC(CCO)CCCC(C)(C)O,,,0,0,1,0,1 | |
| 5709 CC(=CCCC(=C)C=C)C,0,0,0,0,0,0,0 | |
| 5710 Oc1c(Br)cc(Br)cc1Br,,,0,0,,1,1 | |
| 5711 CCC(=O)N(C1CCN(CC(O)c2ccccc2)CC1)c3ccccc3,0,0,0,0,,,0 | |
| 5712 Oc1ccc(C(=O)c2ccccc2)c(O)c1,,1,0,0,,0,1 | |
| 5713 OC(=O)c1ccccc1Cl,0,0,0,0,0,0,0 | |
| 5714 CCOc1ccc(cc1)C(=O)OCCN(CC)CC,0,0,0,0,0,0,0 | |
| 5715 OCc1oc(C=O)cc1,0,0,0,0,0,0,0 | |
| 5716 OCCN(CCO)c1cccc(Cl)c1,0,0,0,0,0,0,0 | |
| 5717 CCCCC1CCCCC(=O)O1,0,0,0,0,,,0 | |
| 5718 CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,0,0,0,0,0,0,0 | |
| 5719 Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1,0,,,1,,,1 | |
| 5720 ClCCOP(OCCCl)OCCCl,0,0,0,0,0,0,0 | |
| 5721 CCC(C)(c1ccc(O)cc1)c2ccc(O)cc2,1,1,1,1,,1,1 | |
| 5722 Cc1ccccc1Br,0,0,0,0,0,0,0 | |
| 5723 S=C(SSSSSSC(=S)N1CCCCC1)N2CCCCC2,,1,,,,,1 | |
| 5724 Cc1ccc(cc1)N(CCO)CCO,0,0,0,0,,0,0 | |
| 5725 CC(=O)CCC(=O)C,0,0,0,0,0,0,0 | |
| 5726 Cc1ccc(C=C2C3CCC(C2=O)C3(C)C)cc1,0,1,0,0,,,1 | |
| 5727 CCCCCC=CC=CC(=O)OCC,,1,1,,,,1 | |
| 5728 N#Cc1ccc(cc1)C2CCCc3cncn23,0,,0,1,0,0,1 | |
| 5729 CC(C)OP(=O)(C)OC(C)C,0,0,0,0,0,0,0 | |
| 5730 COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC,1,1,1,,,0,1 | |
| 5731 OC(=O)COc1nc(Cl)c(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 5732 CCOC(=O)C(Cl)C(=O)C,0,0,,0,0,1,1 | |
| 5733 OC(C1CN2CCC1CC2)(c3ccccc3)c4ccccc4,0,,0,0,,,0 | |
| 5734 ClC(Cl)(Cl)SN1C(=O)c2ccccc2C1=O,,1,,,,,1 | |
| 5735 SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,0,0,,0,0,,0 | |
| 5736 Cc1cccc(C)c1[N+](=O)[O-],0,0,,0,,0,0 | |
| 5737 CC1=CC2C(C1)C3CC2C(=C3)C,0,0,0,0,0,0,0 | |
| 5738 CCOP(O)OCC,0,0,0,0,0,0,0 | |
| 5739 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2Cc3cc(OC)c(OC)cc3CC2C(=O)O,,0,0,0,0,0,0 | |
| 5740 C1CCc2nccnc2C1,0,0,0,0,0,0,0 | |
| 5741 CC(C)C(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 5742 CCCCC=O,0,0,0,0,0,0,0 | |
| 5743 CCC=CCCOC(=O)C(C)C,0,0,0,0,0,0,0 | |
| 5744 CC(C)(C)C(=O)C=Cc1ccc(Cl)cc1,,1,0,0,0,0,1 | |
| 5745 CCCCCCCCCCCCCC(=O)OC(C)C,0,0,0,0,0,0,0 | |
| 5746 NC(=O)CI,0,0,0,,,0,0 | |
| 5747 CCC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(Cc3ccccc3)C(=O)N,0,,0,0,0,,0 | |
| 5748 CCN(Cc1ccccc1)c2ccccc2,0,,,0,,0,0 | |
| 5749 COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2,0,0,0,0,0,0,0 | |
| 5750 ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl,0,0,0,0,,0,0 | |
| 5751 CC1CCCC(C)N1,0,0,0,0,0,0,0 | |
| 5752 CCOc1cc(OP(=S)(OC)OC)nc(CC)n1,0,0,0,0,0,0,0 | |
| 5753 CC(Cc1ccccc1)NC=O,0,,0,0,0,,0 | |
| 5754 ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,0,0,0,0,0,0,0 | |
| 5755 OC(=O)c1cc(ccc1O)N=Nc2ccc(O)c(c2)C(=O)O,0,,0,0,0,,0 | |
| 5756 Nc1oc2ccc(Cl)cc2n1,0,0,,0,0,0,0 | |
| 5757 O=C(Nc1ccccc1)OCC(CN2CCCCC2)OC(=O)Nc3ccccc3,0,0,0,0,,1,1 | |
| 5758 COC(=C1C(C(=C(C)N=C1C)C(=O)OC)c2ccccc2[N+](=O)[O-])O,0,0,1,1,,0,1 | |
| 5759 CC(C)C(=O)C,0,0,0,0,0,0,0 | |
| 5760 CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,,0,1,,0,,1 | |
| 5761 CCCCCCCCCCCC[N+](C)(C)CC(=O)O,,,,0,,,0 | |
| 5762 Oc1ccccc1C(=O)c2ccccc2,0,0,0,,0,0,0 | |
| 5763 CCCOCC(C)OCC(C)O,0,0,0,0,0,0,0 | |
| 5764 CCOCCC(=O)OCC,0,0,0,0,0,0,0 | |
| 5765 NC(=O)N1c2ccccc2CC(=O)c3ccccc13,0,0,0,0,,0,0 | |
| 5766 Cc1cc(ccc1N=Nc2c(O)ccc3ccccc23)S(=O)(=O)O,,,0,,,0,0 | |
| 5767 CNCC(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(C)C)C(=O)NC(Cc2c[nH]cn2)C(=O)N3CCCC3C(=O)NC(C)C(=O)O,0,,0,0,0,,0 | |
| 5768 S=C=Nc1ccccc1,0,0,0,0,0,0,0 | |
| 5769 CCC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O,0,,0,,0,,0 | |
| 5770 CCOc1ccc(cc1)N=Nc2ccc(C=Cc3ccc(cc3S(=O)(=O)O)N=Nc4ccc(OCC)cc4)c(c2)S(=O)(=O)O,0,0,0,0,,0,0 | |
| 5771 CCCCCCCCCCCCCCn1cc[n+](C)c1,1,1,,1,1,,1 | |
| 5772 Cc1ccc(N)c(C)c1,0,0,0,0,0,0,0 | |
| 5773 OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F,,,0,,1,1,1 | |
| 5774 CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,0,,0,0,0,,0 | |
| 5775 CN(C)CCOC(=O)c1ccc2c(c1)c(C)c(C)n2CCN(C)C,1,1,,1,,0,1 | |
| 5776 CC(C)(C)NC(=O)N,0,0,0,0,0,0,0 | |
| 5777 Oc1ccc(Cl)c(Cl)c1,,1,0,0,,0,1 | |
| 5778 CC1=CC=CN2C(=O)C(=CN=C12)c3nn[nH]n3,0,0,0,0,0,0,0 | |
| 5779 C1CCC(CC1)C2CCCCC2,0,0,0,0,,0,0 | |
| 5780 CC(C)(C)c1cc(CCC(=O)NN)cc(c1O)C(C)(C)C,0,0,0,0,0,0,0 | |
| 5781 ClC(=O)c1c(Cl)c(Cl)c(C(=O)Cl)c(Cl)c1Cl,0,0,0,0,0,0,0 | |
| 5782 COc1c(OC2OC(CO)C(O)C(O)C2O)cc3CCC(NC(=O)C)C4=CC(=O)C(=CC=C4c3c1OC)SC,0,,0,0,0,,0 | |
| 5783 CCCC(NC(C)C(=O)N1C2CCCCC2CC1C(=O)O)C(=O)OCC,0,0,0,0,0,0,0 | |
| 5784 OC(=O)COc1ccccc1,0,0,0,0,0,0,0 | |
| 5785 COP(=S)(OC)Oc1ccc(cc1)S(=O)(=O)N(C)C,0,0,0,0,,0,0 | |
| 5786 CN(C)c1ccc(N)cc1,,1,,,,0,1 | |
| 5787 CCc1ccc(cc1)C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C,1,,0,0,0,,1 | |
| 5788 CCCC=CCO,0,,0,0,0,0,0 | |
| 5789 CC1=C(N2C(SC1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O,0,0,0,0,0,0,0 | |
| 5790 NC(=S)NN=Cc1cccnc1,0,0,0,0,0,0,0 | |
| 5791 O=C(C(=O)c1occc1)c2occc2,0,0,0,0,0,0,0 | |
| 5792 COc1ccccc1C=CC=O,1,0,0,,,0,1 | |
| 5793 CC(=O)Oc1ccc(C=C)cc1,0,,0,0,0,0,0 | |
| 5794 Brc1nc2ccccc2s1,0,0,0,0,0,0,0 | |
| 5795 CN(C1CCN(CC1)c2nc3ccccc3n2Cc4ccc(F)cc4)c5nccc(O)n5,0,,0,0,0,0,0 | |
| 5796 CC(C)(OO)c1ccccc1,,0,0,0,,0,0 | |
| 5797 ClS(=O)(=O)Cl,0,,0,0,0,0,0 | |
| 5798 CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0,0,0,0,0,0,0 | |
| 5799 Nc1nc(O)c2ncn(COCCO)c2n1,0,0,0,0,0,0,0 | |
| 5800 CCOC(=O)C(=O)OCC,0,0,0,0,0,0,0 | |
| 5801 CCCCCC=CCC1CC(=O)OC1=O,0,0,0,0,0,0,0 | |
| 5802 CC(=O)Oc1ccc(cc1)C(=C2CCCCC2)c3ccc(OC(=O)C)cc3,0,,0,0,0,1,1 | |
| 5803 CCCC[P+](C)(CCCC)CCCC,0,,0,0,0,0,0 | |
| 5804 CCC(C)c1ccccc1O,0,0,0,0,0,0,0 | |
| 5805 CCCCCCOC(=O)c1cccnc1,0,,0,0,0,,0 | |
| 5806 CCN(CC)CCOc1ccc(cc1)c2nc3cc(Cl)ccc3s2,1,1,,,,,1 | |
| 5807 COc1ccc(OC)c(c1)C(O)CNC(=O)CN,0,0,0,0,0,0,0 | |
| 5808 Fc1ccc(cc1)C(=O)CCCN2CCN3CCCC3C2,0,,0,0,0,,0 | |
| 5809 Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1,1,1,,,,0,1 | |
| 5810 ClCC#N,,,0,0,0,0,0 | |
| 5811 CC(=O)OC1C(C)(C)C2CCC1(C)C2,0,0,0,0,0,0,0 | |
| 5812 [O-][N+](=O)c1ccc2C(=O)NNC(=O)c2c1,0,0,0,0,0,0,0 | |
| 5813 c1ccc(cc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 5814 C1CN=C(NC(C2CC2)C3CC3)O1,0,0,1,0,1,,1 | |
| 5815 ONC(=O)CCCCCCC(=O)Nc1ccccc1,1,1,1,,1,0,1 | |
| 5816 CC(O)C(O)C1CNc2nc(N)nc(O)c2N1,,,0,0,0,,0 | |
| 5817 CCCCCCCCCCCCCCCC(=O)OCC,0,0,0,0,0,0,0 | |
| 5818 COc1ccc(CCO)cc1,,0,0,0,0,0,0 | |
| 5819 COc1ccc(O)c(c1)C(C)(C)C,0,0,0,0,0,0,0 | |
| 5820 CNC(C)CC1CCCCC1,0,,0,0,0,,0 | |
| 5821 CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C,0,0,0,0,0,0,0 | |
| 5822 Brc1ccc(cc1)C(=O)C(=O)c2ccc(Br)cc2,0,0,0,0,0,0,0 | |
| 5823 ClC1=C(Cl)C(Cl)(Cl)C(=C1Cl)Cl,,0,,,,,0 | |
| 5824 CC(O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c1nc(nc(N)c1C)C(CC(=O)N)NCC(N)C(=O)N)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC(=O)N)C3O)c4c[nH]cn4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCNC(C)c7ccccc7,1,,0,0,,,1 | |
| 5825 OC(C(COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 5826 CCc1nn(C)c(C(=O)NCc2ccc(cc2)C(C)(C)C)c1Cl,1,1,,,,1,1 | |
| 5827 CC(C)(c1ccccc1)c2ccc(O)c(c2)C(C)(C)c3ccccc3,1,,,,1,,1 | |
| 5828 CCCCCC1=CCCC1=O,0,0,0,0,0,0,0 | |
| 5829 CCCN,0,0,0,0,0,0,0 | |
| 5830 CC(C)CC(CN)CC(=O)O,0,,0,0,0,,0 | |
| 5831 CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1,0,,0,0,0,0,0 | |
| 5832 COC1=C(OC)C(=O)C(=C(C)C1=O)CCCCCCCCCCO,1,1,,,,1,1 | |
| 5833 COC1CC(OC2CC(OC2C3(C)CCC(O3)C4(C)CCC5(CC(O)C(C)C(O5)C(C)C6OC(O)(CC(=O)O)C(C)C(OC)C6OC)O4)C7OC(C)(O)C(C)CC7C)OC(C)C1OC,,,1,0,,,1 | |
| 5834 CCN1C(=CC=Cc2ccc3ccccc3[n+]2CC)C=Cc4ccccc14,,1,,,1,0,1 | |
| 5835 CCCC(C)c1ccccc1O,,0,,,,0,0 | |
| 5836 S=C(NC1CCCCC1)NC2CCCCC2,,1,0,,0,0,1 | |
| 5837 CN=C1CN(O)C(=C2C=C(Cl)C=CC2=N1)c3ccccc3,0,,0,0,0,,0 | |
| 5838 CC1CCC=C2CCC(CC12C)C(=C)C,0,0,,1,0,,1 | |
| 5839 CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C,1,0,,0,0,0,1 | |
| 5840 CC1=C(O)C(=O)C=CO1,0,0,0,0,,0,0 | |
| 5841 CS(=O)(=O)OCCCCOS(=O)(=O)C,0,0,0,0,0,0,0 | |
| 5842 Clc1ccc(cc1)C(C#N)c2c(Cl)cc(cc2Cl)N3N=CC(=O)NC3=O,,1,1,1,,,1 | |
| 5843 CN1CCN(CC1)C(c2ccccc2)c3ccccc3,0,0,0,0,0,0,0 | |
| 5844 CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13,0,0,0,0,,0,0 | |
| 5845 Fc1ccc(C(=O)NOCC2CC2)c(Nc3ccc(I)cc3Cl)c1F,,1,,,,1,1 | |
| 5846 CC(N)C(O)c1ccccc1,0,0,0,0,0,0,0 | |
| 5847 Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 5848 CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C,0,,0,0,0,0,0 | |
| 5849 CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-],1,1,,,1,0,1 | |
| 5850 CCCCCCCCCCCCCCCCCC#N,0,0,0,0,0,0,0 | |
| 5851 OCCOCCOCCO,0,0,0,0,0,0,0 | |
| 5852 OCc1oc(cc1)C(=O)O,0,0,0,0,,0,0 | |
| 5853 OC(=O)Cc1ccccc1Oc2ccc(Cl)cc2Cl,0,0,0,0,0,,0 | |
| 5854 CC1CCC2(OC1)OC3CC4C5CCC6CC(O)CCC6(C)C5CC(=O)C4(C)C3C2C,0,0,0,0,,0,0 | |
| 5855 Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1,1,,,0,,1,1 | |
| 5856 C(Nc1[nH]cnc2ncnc12)c3ccccc3,,1,0,0,0,0,1 | |
| 5857 CC(=O)NNC(=O)C,0,0,0,0,0,0,0 | |
| 5858 OC(=O)c1cc(I)cc(I)c1I,0,0,0,1,,1,1 | |
| 5859 CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC,0,0,0,0,0,0,0 | |
| 5860 Fc1ccc(NC(=O)c2cccnc2Oc3cccc(c3)C(F)(F)F)c(F)c1,,0,0,0,0,0,0 | |
| 5861 COC(=C1C(C(=C(C)N=C1C)C(=O)OC2CCN(Cc3ccccc3)C2)c4cccc(c4)[N+](=O)[O-])O,1,1,,,,,1 | |
| 5862 O=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1,0,0,0,0,0,0,0 | |
| 5863 CC(C)c1nnc2ccc(cn12)c3ocnc3c4cc(F)ccc4F,,1,0,1,0,,1 | |
| 5864 CN(C)CCOC1=Cc2ccccc2Sc3ccc(Cl)cc13,,0,0,,,,0 | |
| 5865 FC(F)OC(F)(F)C(F)Cl,0,0,0,0,,0,0 | |
| 5866 CN(C)CCc1ccc(O)cc1,0,0,0,0,0,0,0 | |
| 5867 Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-],,,0,0,0,0,0 | |
| 5868 CCOC(=O)c1ccc(C)cc1,0,0,0,0,0,0,0 | |
| 5869 CCC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O,,1,,,,,1 | |
| 5870 COC(C)(C)OC,0,0,0,0,0,0,0 | |
| 5871 CC(Cc1ccccc1)(NC(=O)CN)c2ccccc2,0,0,0,0,,0,0 | |
| 5872 CC(C)CC1NC(=O)C(CCCN)NC(=O)C(NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(Cc3ccccc3)NC(=O)C(Cc4ccccc4)NC(=O)C5CCCN5C(=O)C(Cc6ccccc6)NC1=O)C(C)C,1,,,,,,1 | |
| 5873 CC1=C(Cl)C(=O)N(C(=O)N1)C(C)(C)C,0,0,0,0,0,0,0 | |
| 5874 NC(=N)NCCN1CCCCCCC1,0,0,0,0,0,0,0 | |
| 5875 OCC(O)COC(=O)c1ccccc1Nc2ccnc3c(cccc23)C(F)(F)F,,,,,,1,1 | |
| 5876 OC(=O)c1cccc(O)c1,0,0,0,0,0,0,0 | |
| 5877 O=NN1CCCCC1,0,0,0,0,0,0,0 | |
| 5878 OS(=O)(=O)c1ccc2[nH]c(nc2c1)c3ccccc3,0,0,0,0,0,0,0 | |
| 5879 CC1C=CC=C1,0,0,0,0,0,0,0 | |
| 5880 NC(=S)Nc1cccc2ccccc12,0,0,0,0,0,0,0 | |
| 5881 CCOP(=O)(OCC)Oc1cc(C)nc(n1)C(C)C,0,0,0,0,0,0,0 | |
| 5882 Clc1ccc(C(Cn2ccnc2)OCc3ccsc3Cl)c(Cl)c1,1,,,1,,,1 | |
| 5883 C=COCCOCCOCCOC=C,0,0,0,0,0,0,0 | |
| 5884 CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N(CC(=O)O)C2Cc3ccccc3C2,,0,0,0,0,0,0 | |
| 5885 CCCCCCCCN(C)C,0,0,0,0,0,0,0 | |
| 5886 OC(=O)C1CCC(CC1)C(=O)O,,0,0,0,0,0,0 | |
| 5887 CCCC(C)CC,0,0,0,0,0,0,0 | |
| 5888 CC(=O)Oc1cc(ccc1C(=O)O)C(F)(F)F,0,,0,0,0,,0 | |
| 5889 CC(=C)C(=O)OCC(C)(C)COC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 5890 ON=O,,0,0,0,0,0,0 | |
| 5891 Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C,,0,0,0,0,1,1 | |
| 5892 Nc1ccc(NC(=O)c2ccc(N)cc2)cc1,,0,0,0,0,0,0 | |
| 5893 Nc1ccccc1C(=O)OCC=C,0,0,0,0,0,0,0 | |
| 5894 CC(=C)C(=O)OCCOC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 5895 CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCN)NC1=O)C(C)O,0,,0,0,0,,0 | |
| 5896 NC(Cc1cc(I)c(O)c(I)c1)C(=O)O,0,0,0,0,0,0,0 | |
| 5897 CCCCN,0,0,0,0,0,0,0 | |
| 5898 CC(C)(CO)C(O)C(=O)NCCCO,0,0,0,0,0,0,0 | |
| 5899 O=Cc1ccc2OCOc2c1,,,,0,0,0,0 | |
| 5900 ClC(Cl)Cl,0,,0,0,0,0,0 | |
| 5901 CC1(C)C(CCC2(C)C1CCC3(C)C2C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(=O)O)OC(=O)CCC(=O)O,0,0,0,0,0,,0 | |
| 5902 CC(=O)C1C(CC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C#N,0,,1,,,0,1 | |
| 5903 CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-],1,,1,1,,,1 | |
| 5904 CN=CNc1ccc(C)cc1C,0,0,0,0,0,0,0 | |
| 5905 CC(C)C(=O)OCCC(=C(C)N(Cc1cnc(C)nc1N)C=O)SSC(=C(C)N(Cc2cnc(C)nc2N)C=O)CCOC(=O)C(C)C,0,0,0,0,0,0,0 | |
| 5906 c1ccc2[nH]cnc2c1,0,0,0,0,0,0,0 | |
| 5907 CC[N+]1(C)CCCC1,0,0,0,0,0,0,0 | |
| 5908 CN(C)CCc1c[nH]c2ccccc12,0,0,0,0,0,0,0 | |
| 5909 CC(Cl)COP(=O)(OCC(C)Cl)OCC(C)Cl,0,0,,0,0,0,0 | |
| 5910 CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(cc2)C(C)(C)CC(C)(C)C)cc1,0,0,0,0,0,0,0 | |
| 5911 C[N+](C)(CCOc1ccccc1)Cc2cccs2,0,0,0,0,0,0,0 | |
| 5912 CC1(C)N(Cl)C(=O)N(Cl)C1=O,0,0,0,0,0,0,0 | |
| 5913 CCCCCCCCCCCCCCCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-],0,,0,,0,,0 | |
| 5914 CCN1CCCC1CNC(=O)c2c(O)c(CC)cc(Cl)c2OC,0,0,0,,,,0 | |
| 5915 NC(COP(=O)(O)O)C(=O)O,,0,0,0,0,0,0 | |
| 5916 CCCCCCCCCCOc1cc2c(O)c(cnc2cc1OCC)C(=O)OCC,0,0,0,0,0,0,0 | |
| 5917 CCC12CCC3C(CCC4=CC(=NO)CCC34)C1CCC2(OC(=O)C)C#C,1,1,1,,,,1 | |
| 5918 OC(=O)c1cc(O)c2ccccc2c1O,,,1,,,,1 | |
| 5919 OCCCl,0,0,0,0,0,0,0 | |
| 5920 CC(C)CC(=O)O,0,,0,0,,,0 | |
| 5921 CCCCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)CO,1,1,1,1,,0,1 | |
| 5922 CC(C)(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)(C)C,,0,,0,,0,0 | |
| 5923 OCC(CO)NC1CC(O)(CO)C(O)C(O)C1O,0,0,0,0,0,0,0 | |
| 5924 CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35,0,0,0,0,0,0,0 | |
| 5925 Cc1c(C(=O)O)c(O)cc2C(=O)c3c(O)c(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c3C(=O)c12,,,0,0,,0,0 | |
| 5926 CC(C)CCCC(=O)O,,0,0,0,0,0,0 | |
| 5927 COc1ccc(cc1)c2nc3cc(ccc3[nH]2)C4=NNC(=O)CC4C,1,,1,1,,,1 | |
| 5928 NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2(F)F,1,1,0,0,,1,1 | |
| 5929 OC(=O)CP(=O)(O)O,0,0,0,0,0,0,0 | |
| 5930 CCOP(OCC)OCC,0,0,0,0,0,0,0 | |
| 5931 OC(=O)CNCC(=O)O,0,0,0,0,0,0,0 | |
| 5932 ClC1=C(Cl)C2(Cl)C3COS(=O)(=O)OCC3C1(Cl)C2(Cl)Cl,,,,,,0,0 | |
| 5933 CC(=C(CCO)SSC(=C(C)N(Cc1cnc(C)nc1N)C=O)CCO)N(Cc2cnc(C)nc2N)C=O,0,0,0,0,0,0,0 | |
| 5934 CC(C)NC(=O)N1CC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2,0,0,0,0,0,0,0 | |
| 5935 CC1C2Cc3ccc(O)cc3C1(C)CCN2C,,,0,0,0,0,0 | |
| 5936 CC1=CC(O)CC(C)(C)C1,0,0,0,0,0,0,0 | |
| 5937 Oc1cccc(c1)c2c3C=Cc(n3)c(c4cccc(O)c4)c5ccc([nH]5)c(c6CCc([nH]6)c(c7cccc(O)c7)c8ccc2n8)c9cccc(O)c9,1,,,,,,1 | |
| 5938 CCC(=O)C=CC,,0,,0,0,0,0 | |
| 5939 Cc1cc(C)cc(O)c1,0,0,0,0,0,0,0 | |
| 5940 OC1C(Cc2ccc(cc2)c3ccccc3)COc4cc(ccc14)C5(CCCC5)C(=O)O,,,,0,,,0 | |
| 5941 Nc1nc(cs1)C(=NO)C(=O)NC2C3SCC(=C(N3C2=O)C(=O)O)C=C,0,,0,0,0,,0 | |
| 5942 N#Cc1ccc(cc1)C(c2ccc(cc2)C#N)n3cncn3,,0,0,1,0,0,1 | |
| 5943 OC(C(O)C(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 5944 CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2,0,1,0,0,,0,1 | |
| 5945 CN(C)c1ccc(cc1)N=Nc2ccccc2,1,1,,,1,,1 | |
| 5946 C1C=CC2C3CC(C=C3)C12,0,0,0,0,0,0,0 | |
| 5947 CC(=O)C(Cl)(Cl)Cl,,1,,,1,,1 | |
| 5948 COc1cc(N)c(Cl)cc1C(=O)NC2CCN(Cc3ccccc3)CC2,0,0,0,0,0,0,0 | |
| 5949 CCOP(=O)(OCC)N=C1SCCS1,0,0,0,0,0,0,0 | |
| 5950 CCCCCCC=C,0,0,0,0,0,0,0 | |
| 5951 CCN(CC)CCOc1ccc(Cc2ccccc2)cc1,,,,0,,0,0 | |
| 5952 Fc1ccccc1,0,0,0,0,0,0,0 | |
| 5953 CC(Oc1ccc(Cl)cc1C)C(=O)O,0,0,0,0,0,0,0 | |
| 5954 OC(=O)CNc1ccccc1,0,0,,0,0,0,0 | |
| 5955 OC(=O)CCS,0,0,0,0,0,0,0 | |
| 5956 OCC1CCC2C3CC(CC3CO)C12,0,0,0,0,0,0,0 | |
| 5957 CS(=O)(=O)Nc1cc2OC=C(NC=O)C(=O)c2cc1Oc3ccccc3,1,,0,0,0,,1 | |
| 5958 CC(=C)C(=O)OCCNC(C)(C)C,0,0,0,0,0,0,0 | |
| 5959 CCCCCCCCCCCCCCC(Br)C(=O)O,1,,,0,1,1,1 | |
| 5960 FC(F)(Cl)C(F)(Cl)Cl,0,0,0,0,0,0,0 | |
| 5961 S(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 5962 NC(Cc1ccccc1)C(=O)O,0,,0,,0,,0 | |
| 5963 Oc1oc2cc(ccc2n1)S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3,1,1,,0,1,0,1 | |
| 5964 OCC(O)CS,0,0,0,0,0,0,0 | |
| 5965 CC1(O)CCC2C3CCC4Cc5nonc5CC4(C)C3CCC12C,1,1,,,,,1 | |
| 5966 OCC1CCC(COC=C)CC1,0,,0,0,0,0,0 | |
| 5967 CCCC(=O)OC(=O)CCC,0,0,,0,,0,0 | |
| 5968 FC(Cl)(Cl)C(F)(Cl)Cl,0,0,0,0,0,0,0 | |
| 5969 CC(=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C)C,,0,,0,,0,0 | |
| 5970 NC(=S)NS(=O)(=O)c1ccc(N)cc1,0,,,0,0,,0 | |
| 5971 Oc1oc2cc(Cl)ccc2n1,0,0,0,0,0,0,0 | |
| 5972 CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3,1,1,,,,,1 | |
| 5973 CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C,0,0,0,0,0,0,0 | |
| 5974 CC(C)(C)NCC(O)CSc1nc(cs1)c2ccc(s2)C(=O)N,,,0,1,0,,1 | |
| 5975 CCCCCCCCCCC,0,0,0,,1,0,1 | |
| 5976 CCCC(Cn1cncn1)c2ccc(Cl)cc2Cl,1,1,1,1,,,1 | |
| 5977 OC1(COC(=O)c2cccnc2)OC(COC(=O)c3cccnc3)C(OC(=O)c4cccnc4)C1OC(=O)c5cccnc5,0,,0,0,0,,0 | |
| 5978 OC(=O)CCCC(=O)O,0,0,0,0,0,0,0 | |
| 5979 CC(Cc1ccc(cc1)C(C)C)C=O,,0,0,0,0,0,0 | |
| 5980 OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-],,0,0,,0,0,0 | |
| 5981 OC(=O)C1=C(CSc2nncs2)CSC3C(NC(=O)Cn4cnnn4)C(=O)N13,0,,0,0,0,,0 | |
| 5982 CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,,0,0,,,0,0 | |
| 5983 CCCCCCCCCC[N+](C)(C)CCCCCCCCCC,,1,,,,,1 | |
| 5984 CCC1CC2CC3C1N(CCc4c3[nH]c5ccc(OC)cc45)C2,,,0,0,,0,0 | |
| 5985 CC(=CCCC(=CCCC(=O)C)C)C,0,0,0,0,0,0,0 | |
| 5986 CN1SC=CC1=O,1,0,1,,,0,1 | |
| 5987 Nc1ccccc1C(=O)O,0,0,0,0,0,0,0 | |
| 5988 OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3,,0,0,0,,0,0 | |
| 5989 CC1C2CCC3(C)C=CC(=O)C(=C3C2OC1=O)C,0,0,0,0,0,0,0 | |
| 5990 CC(=O)N,0,0,0,0,0,0,0 | |
| 5991 Oc1ccc(cc1)C2(OS(=O)(=O)c3ccccc23)c4ccc(O)cc4,0,0,0,0,0,0,0 | |
| 5992 OCC(CO)(CO)COCC(CO)(CO)CO,0,0,0,0,0,0,0 | |
| 5993 OP(=O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O,0,,0,0,0,,0 | |
| 5994 OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,0,0,0,0,0,0,0 | |
| 5995 Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12,0,1,,,0,0,1 | |
| 5996 CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(N)CSSCC(NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC1=O)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N,0,1,0,0,,,1 | |
| 5997 C[N+](=CCl)C,0,0,0,0,0,0,0 | |
| 5998 CCOc1ccc(NC(=O)N)cc1,0,0,0,0,0,0,0 | |
| 5999 O=C(Oc1ccccc1)c2ccccc2C(=O)Oc3ccccc3,1,1,0,,,1,1 | |
| 6000 CN1CCN2C(C1)c3ccccc3Cc4cccnc24,0,,0,0,,,0 | |
| 6001 NC(=O)NC(CCC(=O)O)C(=O)O,0,0,0,0,0,0,0 | |
| 6002 CC(CC(c1ccccc1)c2ccccc2)NC(C)(C)C,0,,0,0,,,0 | |
| 6003 Clc1ccc(cn1)C2CC3CCC2N3,0,,0,0,0,,0 | |
| 6004 CC(C)c1ncc([N+](=O)[O-])n1C,0,,0,0,0,,0 | |
| 6005 CN(C)CCCNCCCN(C)C,0,0,0,0,0,0,0 | |
| 6006 CC(C)C1CC=C(C)C=C1,0,0,0,0,0,0,0 | |
| 6007 CC(=O)Nc1ccc(O)cc1,0,0,0,0,0,0,0 | |
| 6008 CCN(CC)CCNC(=O)c1ccc(NC(=O)C)cc1,0,0,0,0,0,0,0 | |
| 6009 O=C1OC23CC(C=CC2=C1)N4CCCCC34,1,,1,,,,1 | |
| 6010 Oc1ccccc1S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 6011 CCCC=NO,0,0,0,0,0,0,0 | |
| 6012 CC1=NN(C(=O)C1N=Nc2ccccc2)c3ccc(cc3)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 6013 OC(=O)c1ccc(NC(=O)C(Cc2ccc(O)cc2)NC(=O)c3ccccc3)cc1,0,,0,0,0,,0 | |
| 6014 NNC(=O)OCc1ccccc1,0,,0,1,0,,1 | |
| 6015 CCN(CC)CC1CCCCN1CC(=O)N2c3ccccc3C(=O)Nc4cccnc24,0,0,0,0,0,0,0 | |
| 6016 CNC(C)C(O)c1ccccc1,0,0,0,0,0,0,0 | |
| 6017 COC(=O)CC(C)CCC=C(C)C,0,0,0,0,0,0,0 | |
| 6018 CNC(=O)CSP(=S)(OC)OC,0,0,0,0,0,0,0 | |
| 6019 CC1CCC2C(C)(C)C3CC12CC=C3C,0,0,0,0,0,0,0 | |
| 6020 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)COC(=O)C,1,1,1,1,0,,1 | |
| 6021 CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2,0,0,0,0,,0,0 | |
| 6022 CNC1C(O)C(O)C(CO)OC1OC2C(OC3C(O)C(O)C(N=C(N)N)C(O)C3N=C(N)N)OC(C)C2(O)C=O,0,,0,0,0,,0 | |
| 6023 CN(C)CCC=C1c2ccccc2Sc3ccc(Cl)cc13,,,0,,,,0 | |
| 6024 CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC(Cc2ccccc2)C(=O)O,0,0,0,0,0,0,0 | |
| 6025 CC=C(C)C#N,0,0,,0,0,0,0 | |
| 6026 CCN(CCC#N)c1ccccc1,0,0,0,0,0,0,0 | |
| 6027 NC(CS)C(=O)O,0,0,0,0,0,0,0 | |
| 6028 Clc1cc(Cl)c(Cl)c(Cl)c1,,0,0,0,,0,0 | |
| 6029 NC(=O)Cc1cccc2ccccc12,0,0,0,0,0,0,0 | |
| 6030 OCC1OC(Oc2cccc3C(C4c5cccc(OC6OC(CO)C(O)C(O)C6O)c5C(=O)c7c(O)cc(cc47)C(=O)O)c8cc(cc(O)c8C(=O)c23)C(=O)O)C(O)C(O)C1O,0,,0,0,0,,0 | |
| 6031 OC(=O)C1CC(CP(=O)(O)O)CCN1,0,,0,0,0,,0 | |
| 6032 COC1C(CC2CN3CCc4c([nH]c5cc(OC)ccc45)C3CC2C1C(=O)OC)OC(=O)COc6ccc(OC)cc6,0,,0,0,,0,0 | |
| 6033 CCC(C)(N=NC(C)(CC)C#N)C#N,0,0,0,0,0,0,0 | |
| 6034 CCCC(O)C(CC)CO,0,0,0,0,0,0,0 | |
| 6035 COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-],,,0,1,,1,1 | |
| 6036 Cc1oc(nc1CCOc2cccc3c2ccn3CCC(=O)O)c4ccccc4,0,,,,,1,1 | |
| 6037 CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc4ccc(cc24)S(=O)(=O)N(C)C)CC1,0,,0,0,0,,0 | |
| 6038 Nc1nc2c(Cl)cccc2s1,,0,,0,0,0,0 | |
| 6039 CCOC(=O)C=Cc1ccccc1,0,0,0,0,0,0,0 | |
| 6040 CN1C(=O)N(C)c2ncn(CC(O)CO)c2C1=O,0,0,0,0,0,0,0 | |
| 6041 CC(C)COC(=O)C,,,,,,0,0 | |
| 6042 CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1,1,1,,,,0,1 | |
| 6043 COc1ccc2[nH]cc(CCNC(=O)C)c2c1,0,0,0,0,0,0,0 | |
| 6044 ClCC(Br)CBr,0,0,0,0,0,0,0 | |
| 6045 CCCOCCOCCO,0,0,0,0,,0,0 | |
| 6046 C[n+]1ccn(C)c1,0,0,0,0,0,0,0 | |
| 6047 CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,1,0,1,0,,0,1 | |
| 6048 CCCCCCCCC(=O)Cl,,0,0,0,0,0,0 | |
| 6049 Cc1ccc(C)c(O)c1C,0,0,0,0,0,0,0 | |
| 6050 Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,0,0,0,0,0,0,0 | |
| 6051 O=CC=Cc1occc1,0,0,0,0,0,0,0 | |
| 6052 CN1N(C(=O)C(=C1C)N)c2ccccc2,0,0,0,0,0,0,0 | |
| 6053 CC(=O)CCc1ccc(OC(=O)C)cc1,0,0,0,0,0,0,0 | |
| 6054 CNC(=O)CC(N)C(=O)NC(C(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O)c3ccc(O)cc3,0,,0,0,0,,0 | |
| 6055 OC(=O)c1cccc(Cl)c1,0,0,0,0,,0,0 | |
| 6056 CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2,0,0,,0,,0,0 | |
| 6057 NC(=O)C(=O)NN=Cc1oc(cc1)[N+](=O)[O-],,,0,,,0,0 | |
| 6058 CCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,0,,0,0,,,0 | |
| 6059 COc1ccc2C3CCC4(C)C(CCC4(O)C#C)C3CCc2c1,1,1,1,0,,0,1 | |
| 6060 CC=CC=O,0,0,0,0,0,0,0 | |
| 6061 Cc1ccccc1C(=O)O,,,,,0,0,0 | |
| 6062 CC(C)O,0,0,0,0,0,0,0 | |
| 6063 CCCCNS(=O)(=O)c1ccc(C)cc1,0,0,0,0,0,0,0 | |
| 6064 C=CCOC(=O)c1ccccc1C(=O)OCC=C,0,0,0,,0,0,0 | |
| 6065 CCCCCCCCCCCCCC[N+](C)(C)C,1,1,,,,1,1 | |
| 6066 CCCCCCCCCC=O,,,0,0,0,1,1 | |
| 6067 COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)C,1,1,1,1,,1,1 | |
| 6068 CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,0,,,0,0,1,1 | |
| 6069 OCCNCc1ccccc1,0,0,0,0,0,0,0 | |
| 6070 CC(=O)NC1(CCN(CCC2(CN(C(=O)CO2)c3ccccc3)c4ccc(Cl)c(Cl)c4)CC1)c5cccc(F)c5,1,1,,,,,1 | |
| 6071 [O-][N+](=O)c1ccc(F)c(c1)[N+](=O)[O-],,,,0,,,0 | |
| 6072 CC1(C)CC(=O)CC(C)(C)N1[O],0,0,0,,0,0,0 | |
| 6073 CN(C)CCN(C)CCN(C)C,0,0,0,0,0,0,0 | |
| 6074 Nc1ccc(cc1)N=Nc2ccccc2,1,1,,1,,1,1 | |
| 6075 CCBr,0,0,0,0,0,0,0 | |
| 6076 CCCCCCCCCCCCCCC,0,0,0,0,0,0,0 | |
| 6077 CNC(=O)Oc1cccc(c1)C(C)C,0,0,0,0,0,0,0 | |
| 6078 OCC1OC(C(O)C(O)C1O)C2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24,,,,0,0,,0 | |
| 6079 OC(=O)c1cccc(c1)C(F)(F)F,0,0,0,0,0,0,0 | |
| 6080 CC(=O)OC(C)(C)C,0,0,0,0,0,0,0 | |
| 6081 O=C1CCCC(=O)O1,0,0,0,0,0,0,0 | |
| 6082 Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1,0,0,0,0,,0,0 | |
| 6083 COCCOC(=C1C(C(=C(C)N=C1C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])O,1,,1,0,,0,1 | |
| 6084 CN1CCC23C4CCC(O)C2Oc5c(O)ccc(CC14)c35,0,0,0,0,0,0,0 | |
| 6085 CC(=O)NN=Cc1oc(cc1)[N+](=O)[O-],,,,,,0,0 | |
| 6086 N#CC(=C(C#N)C#N)C#N,0,,0,0,0,0,0 | |
| 6087 Cc1cc(ccc1N=Nc2cc(c3ccccc3c2N)S(=O)(=O)O)c4ccc(N=Nc5cc(c6ccccc6c5N)S(=O)(=O)O)c(C)c4,,1,1,1,,,1 | |
| 6088 ClC=CCl,0,0,0,0,0,0,0 | |
| 6089 CC(C=CC(C)C(C)(C)O)C1CCC2C(=CC=C3CC(O)CC(O)C3)CCCC12C,0,1,,0,,,1 | |
| 6090 CCOc1cccc(c1)C2(CCC(C)CC2)N3CCN(CC3)c4ccccc4,0,,0,0,0,0,0 | |
| 6091 CC(=O)OC1C(O)C2C(C)(C)CCC(O)C2(C)C3(O)C(=O)CC(C)(OC13C)C=C,,1,1,1,1,0,1 | |
| 6092 CC=C(C)C(=O)OCC=C(C)CCC=C(C)C,0,0,0,0,0,0,0 | |
| 6093 OC(=O)c1ccc(O)cc1O,0,0,,0,0,0,0 | |
| 6094 CCCN(C1CCN(CC1)C(=O)C2CCNCC2)C3CCc4ccc(OC)cc4C3,,,0,,,0,0 | |
| 6095 Cc1cccc(C)c1O,0,0,0,0,0,0,0 | |
| 6096 COP(=S)(OC)Oc1ccc(cc1Cl)[N+](=O)[O-],,,0,0,0,0,0 | |
| 6097 COCC1=C(N2C(SC1)C(NC(=O)C(=NOC)c3csc(N)n3)C2=O)C(=O)OC(C)OC(=O)OC(C)C,1,,,,0,,1 | |
| 6098 NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O,1,,,0,,0,1 | |
| 6099 O=C(OCC=Cc1ccccc1)C=Cc2ccccc2,0,0,0,,0,0,0 | |
| 6100 CCNc1nc(Cl)nc(NC(C)C)n1,0,0,0,0,0,0,0 | |
| 6101 OCC(O)CO,0,0,0,0,0,0,0 | |
| 6102 OCCCCCCO,0,0,0,,0,0,0 | |
| 6103 COc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C,0,0,0,0,0,,0 | |
| 6104 Clc1ccc(cc1)C2C(=O)c3ccccc3C2=O,,,0,0,0,,0 | |
| 6105 CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2O,1,1,,0,,,1 | |
| 6106 ClP(Cl)(Cl)(Cl)Cl,0,0,0,0,,0,0 | |
| 6107 CCCCCCCCCCCCCCCC(=O)OC1CC(=C(C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)CC(CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C)C)C(C)(C)C1)C,0,,,0,,,0 | |
| 6108 Oc1nc(Cl)c(Cl)cc1Cl,,,0,,1,1,1 | |
| 6109 O=C(OCCOCCOC(=O)c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 6110 COc1cc(CC(C)N)c(OC)cc1Br,0,0,0,0,,,0 | |
| 6111 CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24,1,,0,0,,1,1 | |
| 6112 COc1cc(CC=C)cc(C(=O)NCCO)c1O,0,0,0,0,0,0,0 | |
| 6113 Cc1ccc(cc1)S(=O)(=O)NC2CCCCC2,1,1,0,,0,,1 | |
| 6114 COC(=O)C(Br)CBr,0,0,0,,,,0 | |
| 6115 COC(=O)c1ccc(CBr)cc1,1,1,0,1,,0,1 | |
| 6116 CC1CC(=CC(C)C1C=O)C,0,0,0,0,0,0,0 | |
| 6117 Cc1cc(C)c(N)c(Cl)c1,0,0,0,0,0,0,0 | |
| 6118 S=P(N1CC1)(N2CC2)N3CC3,0,0,0,0,,0,0 | |
| 6119 CCCCCCOC(=O)CCCCC,0,0,0,0,0,0,0 | |
| 6120 CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12,,1,0,0,1,0,1 | |
| 6121 Cc1ccccc1OCC(O)CO,0,,0,0,0,0,0 | |
| 6122 CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)c3ccccc3)C1=O,0,0,0,,0,0,0 | |
| 6123 CCN(CC)CCOC(=O)C1(CCCC1)c2ccccc2,0,0,0,0,,0,0 | |
| 6124 CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)O)C=C3)c5ccccc5,0,0,0,0,,,0 | |
| 6125 CCOP(=S)(OCC)Oc1cc(Cl)c(Br)cc1Cl,,,0,0,1,,1 | |
| 6126 O=C(OCC1CO1)C2CCCCC2C(=O)OCC3CO3,1,1,0,,,0,1 | |
| 6127 COC1C(CC(=O)OC(C)CC=CC=CC(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C1OC3OC(C)C(OC4CC(C)(O)C(O)C(C)O4)C(C3O)N(C)C)OC(=O)C,0,0,,0,,0,0 | |
| 6128 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl,,1,,,,,1 | |
| 6129 CCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)COC,,1,,,,,1 | |
| 6130 CC(C)NC(=O)c1ccccc1N,0,0,0,0,0,0,0 | |
| 6131 CCN(CC)CCOc1ccc2nc(sc2c1)N(C)C,1,1,0,1,0,,1 | |
| 6132 CCCOC(=O)c1ccccc1C(=O)OCCC,0,0,0,0,0,0,0 | |
| 6133 CC(=C)C(=O)OCCCCCCOC(=O)C(=C)C,,0,,1,0,0,1 | |
| 6134 O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,0,0,0,0,0,0,0 | |
| 6135 SC1=NC=NC2N=CNC12,1,1,,1,0,,1 | |
| 6136 CSC1=NN=C(C(=O)N1N)C(C)(C)C,0,0,0,0,0,0,0 | |
| 6137 CCCCCCCCCCn1cc[n+](C)c1,1,1,,1,1,0,1 | |
| 6138 CCCCOCC(C)O,0,0,0,0,0,0,0 | |
| 6139 CC(=CCC=C(C)C=C)C,0,0,,,,0,0 | |
| 6140 NC(Cc1c[nH]c2ccccc12)C(=O)O,0,0,0,0,0,0,0 | |
| 6141 CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1,,1,,,,,1 | |
| 6142 CN(C1CCCCC1)C2CCCCC2,0,0,0,0,0,0,0 | |
| 6143 Oc1ccc(cc1CC=C)S(=O)(=O)c2ccc(O)c(CC=C)c2,1,1,,1,,,1 | |
| 6144 CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3,1,1,,,,1,1 | |
| 6145 CN1CCCC1,0,0,0,0,0,0,0 | |
| 6146 CC(C)C(C)C=CC(C)C1CCC2C(=CC=C3CC(O)CC(O)C3=C)CCCC12C,1,,,,,,1 | |
| 6147 Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(cc3C)c4ccc(N=Nc5c(O)ccc6cc(cc(c56)S(=O)(=O)O)S(=O)(=O)O)c(C)c4,,,,,,0,0 | |
| 6148 Cc1ccc2c(C)cccc2c1,0,0,0,0,0,0,0 | |
| 6149 CC(=C)CC(C)(C)C,0,0,0,0,0,0,0 | |
| 6150 Brc1cccc(C=O)c1,0,0,0,0,0,0,0 | |
| 6151 Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1,,1,,,,1,1 | |
| 6152 CC12CCC3C(CCC4=C(Cl)C(=O)CCC34C)C1CCC2O,1,1,1,1,1,,1 | |
| 6153 CCCN(CCC)N=O,0,0,0,0,0,0,0 | |
| 6154 Oc1oc2ccccc2n1,0,0,0,0,0,0,0 | |
| 6155 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3,1,,0,0,,0,1 | |
| 6156 COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1,0,0,0,0,0,0,0 | |
| 6157 Cc1ccccc1C(=O)Nc2ccc(C(=O)N3CCCC(O)c4cc(Cl)ccc34)c(C)c2,1,,,,1,,1 | |
| 6158 OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3,0,0,0,0,0,0,0 | |
| 6159 CN1C(=O)N(C)C(=O)C(=C1N)N=O,0,0,0,,0,0,0 | |
| 6160 c1ccc2cnncc2c1,0,0,,0,,0,0 | |
| 6161 CN1CC2CC1CN2c3cc4N(C=C(C(=O)O)C(=O)c4cc3F)C5CC5,0,,,,0,0,0 | |
| 6162 NCc1cccnc1,0,0,0,0,0,0,0 | |
| 6163 COC(=O)CCC1=C(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(CCC(=O)O)c5C)C6(C)C(C(=O)OC)C(=CC=C46)C(=O)OC)c(C)c3C=C,,,,0,,,0 | |
| 6164 Cc1ccc(C)c(C)c1,0,0,0,0,0,0,0 | |
| 6165 CC1COC(=O)O1,0,0,0,0,0,0,0 | |
| 6166 OCC1OC(O)C(O)C(O)C1O,0,0,0,0,0,0,0 | |
| 6167 Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl,,1,,0,,0,1 | |
| 6168 CCOC(=O)NC(O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 6169 CC(CN1c2ccccc2Sc3cccnc13)N(C)C,0,,1,1,,,1 | |
| 6170 CC(Br)C(=O)O,0,,0,0,0,0,0 | |
| 6171 Clc1ccc(cc1Cl)N=C=O,,,,,0,1,1 | |
| 6172 COc1ccc(cc1)C2C(=O)c3ccccc3C2=O,0,0,0,0,0,0,0 | |
| 6173 Cc1cc(c(N)cc1Cl)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 6174 S(Sc1ccccc1)c2ccccc2,0,0,,0,0,0,0 | |
| 6175 CC(Cl)C(=O)O,0,,0,0,,0,0 | |
| 6176 OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3,0,0,0,0,0,0,0 | |
| 6177 CC(O)C(CO)C(C)O,0,0,0,0,0,0,0 | |
| 6178 OC(=O)C=C,0,0,0,0,0,0,0 | |
| 6179 CC1CCC2C(C)C(O)OC3OC4(C)CCC1C23OO4,1,1,,,,1,1 | |
| 6180 CC(C(=O)O)c1ccc(C2CCCCC2)c3ccccc13,,,,,,1,1 | |
| 6181 CC(C)(COC(=O)c1ccccc1)COC(=O)c2ccccc2,0,0,0,0,0,0,0 | |
| 6182 OP(=O)(O)OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F,0,,0,0,0,,0 | |
| 6183 S=C=Nc1ccc(cc1)N=C=S,0,1,0,0,0,,1 | |
| 6184 NC(=O)C1CC2(NC(=O)NC2=O)c3cc(F)ccc3O1,0,,0,0,0,,0 | |
| 6185 COc1ccc(CO)cc1,0,0,0,0,0,0,0 | |
| 6186 Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O,1,1,,1,,1,1 | |
| 6187 C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,1,1,,,,1,1 | |
| 6188 COc1ccc(NC(=O)C)cc1N,0,,0,0,0,0,0 | |
| 6189 CN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)c4ccc(F)cc4,,1,0,0,0,,1 | |
| 6190 COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1,,0,,0,0,0,0 | |
| 6191 CC1CCc2cc(F)cc3C(=O)C(=CN1c23)C(=O)O,0,0,,0,0,0,0 | |
| 6192 OCC1(CO)COCOC1,0,0,0,0,0,0,0 | |
| 6193 CC(=O)OCC=C,0,0,0,0,0,0,0 | |
| 6194 CCCCCCC(=O)CCCCCCC=CCC(O)C(O)C(N)(CO)C(=O)O,0,0,0,0,0,0,0 | |
| 6195 CC(=O)C=Cc1ccc2OCOc2c1,1,1,,,,1,1 | |
| 6196 NS(=O)(=O)c1cc2c(NC=NS2(=O)=O)cc1Cl,0,0,0,0,0,0,0 | |
| 6197 NC(CCCN=C(N)N)C(=O)O,0,0,0,0,0,0,0 | |
| 6198 O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3,1,0,0,0,0,,1 | |
| 6199 OC(=O)CC(Cl)C(=O)O,0,0,0,0,0,,0 | |
| 6200 CN(CC#C)Cc1ccccc1,0,0,0,0,0,0,0 | |
| 6201 CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2,0,0,0,0,0,0,0 | |
| 6202 CCc1ccccc1,0,0,0,0,,0,0 | |
| 6203 NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1,1,1,1,1,,0,1 | |
| 6204 C=CN1CCCC1=O,0,0,0,0,0,0,0 | |
| 6205 CO[P+](=O)OC,0,0,0,0,0,0,0 | |
| 6206 CCN(N=O)C(=O)N,0,0,0,0,0,0,0 | |
| 6207 COCc1ccc(COC)cc1,0,0,0,0,0,0,0 | |
| 6208 CCCC(C)CO,0,0,0,0,0,0,0 | |
| 6209 Cc1nc(Nc2ncc(s2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4,1,1,1,,,1,1 | |
| 6210 OC(=O)C(Cl)Br,0,0,0,0,0,0,0 | |
| 6211 CC(C)(C)OC(=O)C=C,0,0,0,0,0,0,0 | |
| 6212 CC(C)(C)c1ccc(S)cc1,0,1,,,,0,1 | |
| 6213 C1CCC2OC2C1,0,0,0,0,0,0,0 | |
| 6214 O=C1CC2CC1C3CCCC23,1,,1,0,0,0,1 | |
| 6215 Oc1ccccc1c2ccccc2,0,0,0,0,0,0,0 | |
| 6216 CSSc1ccoc1C,0,0,0,0,0,0,0 | |
| 6217 Cc1cc(C)c(cc1N=Nc2cc(c3ccccc3c2O)S(=O)(=O)O)S(=O)(=O)O,0,,0,0,,0,0 | |
| 6218 CCN(CC)CCOC(=O)C(=C)C,0,0,,0,,0,0 | |
| 6219 [O-][N+](=O)c1ccc2ccc3cccc4ccc1c2c34,,1,1,0,,,1 | |
| 6220 CCCCCCCC(=O)N(C)C,0,0,,0,0,0,0 | |
| 6221 S=C1SCN(Cc2ccccc2)CN1Cc3ccccc3,0,1,,0,,1,1 | |
| 6222 CCC(NC(C)C)C(O)c1ccc(O)c(O)c1,0,,0,0,0,,0 | |
| 6223 CCCCCCc1ccc(N)cc1,1,1,0,,,,1 | |
| 6224 CCCCc1nc2cccnc2n1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5,,,,,0,1,1 | |
| 6225 CC1=NN(C(=O)C1N=Nc2ccc(cc2)S(=O)(=O)O)c3cc(Cl)c(cc3Cl)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 6226 CCn1cc[n+](C)c1C,0,0,0,0,0,0,0 | |
| 6227 COc1ccc(cc1O)C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2,0,,0,0,0,,0 | |
| 6228 CCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,0,,,0,0,,0 | |
| 6229 CCC(C)C=O,0,0,0,0,,0,0 | |
| 6230 CCCCCCCCCCCCCCCS(=O)(=O)Oc1ccccc1,0,0,0,0,0,0,0 | |
| 6231 Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)CO)c2cc1C,,0,0,0,0,0,0 | |
| 6232 [O-][N+](=O)c1cccc(CCl)c1,0,0,0,0,0,0,0 | |
| 6233 CNCC(O)c1ccc(O)c(O)c1,0,0,0,0,0,0,0 | |
| 6234 CCCCC(CC)COC(=O)CCCCC(=O)OCc1ccccc1,,0,0,0,0,0,0 | |
| 6235 Oc1c(Cl)cc(Cl)cc1Cl,1,,0,0,0,,1 | |
| 6236 Oc1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 6237 Clc1ccc(OCC(=O)OCCNC23CC4CC(CC(C4)C2)C3)cc1,0,,0,0,,,0 | |
| 6238 CC(CO)(CO)C(=O)O,0,0,0,0,,0,0 | |
| 6239 CCN(CC)CCOc1ccccc1C(=O)CCc2ccccc2,0,0,0,0,,0,0 | |
| 6240 CN(C)CCCOC1C(OC2OC(C)(C)OC12)C(O)CO,0,0,0,0,0,0,0 | |
| 6241 C(CCOCC1CO1)COCC2CO2,0,,0,1,1,0,1 | |
| 6242 Oc1c(Br)cc(Br)cc1C(=O)Nc2cccc(c2)C(F)(F)F,,1,,,,,1 | |
| 6243 NC(=N)NC(=O)Cc1c(Cl)cccc1Cl,0,0,0,0,,0,0 | |
| 6244 Nc1ncnc2c1ncn2C3OC(CO)C(O)C3O,,1,0,0,0,0,1 | |
| 6245 CC(Oc1ccc(CNC(=O)c2cccnc2Oc3ccc4OCOc4c3)c(F)c1)C(=O)O,0,0,0,0,0,0,0 | |
| 6246 C(OCC1CO1)C2CCC(COCC3CO3)CC2,0,,0,,,,0 | |
| 6247 O=C(Nc1cccc2C(=O)C=C(Oc12)c3nn[nH]n3)c4ccc(OCCCCc5ccccc5)cc4,0,,0,0,0,,0 | |
| 6248 OC(=O)CCc1ccccc1,0,0,0,0,0,0,0 | |
| 6249 Cc1c(c2ccc(O)cc2)n(Cc3ccc(OCCN4CCCCCC4)cc3)c5ccc(O)cc15,,1,1,1,,,1 | |
| 6250 OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,1,1,,,,,1 | |
| 6251 C(N(Cc1ccccc1)Cc2ccccc2)c3ccccc3,0,0,0,0,,1,1 | |
| 6252 CC(Cc1ccccc1)N(C)CC#C,0,0,0,0,0,0,0 | |
| 6253 CCNC(C)Cc1ccccc1,0,0,0,0,0,0,0 | |
| 6254 Cc1ccc(N=Nc2c(O)c(cc3ccccc23)C(=O)O)c(c1)S(=O)(=O)O,0,0,,,,0,0 | |
| 6255 CC(CN(C(=O)C)c1c(I)cc(I)c(N)c1I)C(=O)O,0,,0,0,0,,0 | |
| 6256 CCCCCCCCCCCBr,0,0,0,0,0,0,0 | |
| 6257 CC(CCO)CCCC(=C)C,0,0,0,0,0,0,0 | |
| 6258 COC(=O)CCSCCC(=O)OC,0,0,0,0,0,0,0 | |
| 6259 CCCCC(CC)CNCC(CC)CCCC,,0,0,0,0,0,0 | |
| 6260 CCCCNP(=S)(N)N,0,0,,0,0,0,0 | |
| 6261 OC(C1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F,,1,,,,1,1 | |
| 6262 CC(=Cc1ccc(cc1)C(=O)O)c2ccc3c(c2)C(C)(C)CCC3(C)C,,1,,,,,1 | |
| 6263 CCOC(=O)CCc1ccccc1,0,0,0,0,0,0,0 | |
| 6264 O=C1N(CC2CCCc3cccc1c23)C4CN5CCC4CC5,0,,0,0,,0,0 | |
| 6265 ClCC1(CCl)C(=C)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl,,1,,,,1,1 | |
| 6266 Oc1ccc(Cc2ccc(O)cc2)cc1,,1,0,1,,1,1 | |
| 6267 CCCCC(CC)CN1C(=O)C2C3CC(C=C3)C2C1=O,1,1,0,,,0,1 | |
| 6268 OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O,,0,0,0,1,1,1 | |
| 6269 CCCC(C)C1(CC)C(=O)NC(=S)NC1=O,0,0,0,0,0,0,0 | |
| 6270 CCCCCCCCCCCCCCCCCC(=O)OCCO,0,,0,0,0,,0 | |
| 6271 CC(C)CC(NC(=O)C(CCc1ccccc1)NC(=O)CN2CCOCC2)C(=O)NC(Cc3ccccc3)C(=O)NC(CC(C)C)C(=O)C4(C)CO4,1,1,1,,,,1 | |
| 6272 CC(C)CC(NC(=O)OCC1c2ccccc2c3ccccc13)C(=O)O,1,1,,1,,1,1 | |
| 6273 CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C(C)(C)C,1,,1,1,,,1 | |
| 6274 CC(Oc1ccccc1)C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O,0,,,0,0,,0 | |
| 6275 COc1cc(cc(OC)c1OC)C2C3C(COC3=O)C(O)c4cc5OCOc5cc24,1,1,1,0,1,,1 | |
| 6276 CC(=N)S,0,0,0,0,0,0,0 | |
| 6277 Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12,,1,1,1,,0,1 | |
| 6278 COc1ccc2c(c1)c3CCN=C4N(C)CCn2c34,,0,0,0,0,0,0 | |
| 6279 O=CNc1ccccc1,0,0,0,0,0,0,0 | |
| 6280 CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,0,1,,0,,1,1 | |
| 6281 CN(C)CCn1nnnc1SCC2=C(N3C(SC2)C(NC(=O)Cc4csc(N)n4)C3=O)C(=O)O,0,0,0,0,0,0,0 | |
| 6282 CC(=CCCC(C)(OC(=O)C)C=C)C,0,0,0,0,0,0,0 | |
| 6283 CCCCOCCOC(=O)COc1nc(Cl)c(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 6284 NNC(=O)c1ccccc1,,1,0,,0,0,1 | |
| 6285 CN1C(=O)NC(=O)N(C1=O)c2ccc(Oc3ccc(cc3)S(=O)(=O)C(F)(F)F)c(C)c2,1,,,0,1,1,1 | |
| 6286 OCCCNc1ccccc1,0,,0,0,0,,0 | |
| 6287 Nc1cc(Cl)cc(C(=O)O)c1Cl,0,0,0,0,0,0,0 | |
| 6288 OS(=O)(=O)C=C,0,0,0,0,0,0,0 | |
| 6289 Cc1ccc(c(C)c1)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 6290 OC(=O)CC(S)C(=O)O,0,,0,0,0,,0 | |
| 6291 COc1cc(OC)c(C=O)cc1OC,,,0,,0,0,0 | |
| 6292 CCCCCOC(=O)CCCCC,0,0,0,0,0,0,0 | |
| 6293 NNc1ccccc1,0,0,,0,0,,0 | |
| 6294 CN(C(=O)C1=C(O)c2ccccc2N(C)C1=O)c3ccccc3,0,0,0,0,0,0,0 | |
| 6295 CON(C)C(=O)Nc1ccc(Cl)cc1,0,,,1,0,0,1 | |
| 6296 Oc1[nH]cnc2nncc12,0,0,0,0,0,0,0 | |
| 6297 NCCN1CCNCC1,0,0,0,0,0,0,0 | |
| 6298 CCCC(CC)c1ccccc1,0,0,0,0,0,0,0 | |
| 6299 CCCCCCCCCCCCCl,0,,0,0,0,0,0 | |
| 6300 Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(C)(C)CCC2(C)C,1,1,,0,1,1,1 | |
| 6301 CC(O)CO,0,0,0,0,0,0,0 | |
| 6302 FCOC(C(F)(F)F)C(F)(F)F,0,,0,0,0,,0 | |
| 6303 OCCOCCO,0,0,0,0,0,0,0 | |
| 6304 CN1C(O)C(O)N(C)C1=O,0,0,0,0,0,0,0 | |
| 6305 Cc1ccccc1C#N,0,0,0,0,0,0,0 | |
| 6306 CC(C)(CO)C(O)C(=O)NCCC(=O)O,,,,,0,0,0 | |
| 6307 CC1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1,1,1,1,,,,1 | |
| 6308 Cc1ncc(CO)c(C=O)c1O,0,0,0,0,0,0,0 | |
| 6309 C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,0,0,0,0,0,0,0 | |
| 6310 COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],0,0,,0,,0,0 | |
| 6311 OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,,,,0,,,0 | |
| 6312 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4,,,,0,,,0 | |
| 6313 SCc1ccccc1,0,0,0,1,0,,1 | |
| 6314 CC(C)(C)C1CCCCC1O,,0,0,0,0,0,0 | |
| 6315 OC(=O)C1CCC(=O)N1,0,0,0,0,0,0,0 | |
| 6316 O=CC=O,0,0,0,0,0,0,0 | |
| 6317 OC(=O)CCCCCC(=O)O,0,0,0,0,0,0,0 | |
| 6318 CCOc1ccc(cc1)N=Nc2ccc(N)cc2N,1,1,0,1,,,1 | |
| 6319 c1cnc2c(c1)ccc3cccnc23,1,1,1,,1,,1 | |
| 6320 COc1ccc(Cl)cc1C,0,0,0,0,0,0,0 | |
| 6321 CCc1nccnc1C,1,0,0,,0,0,1 | |
| 6322 CCOCCn1c(nc2ccccc12)N3CCCN(C)CC3,0,0,0,0,0,0,0 | |
| 6323 C=Cc1ccccc1,0,0,0,0,0,0,0 | |
| 6324 CC(OC(=O)C)c1ccccc1,0,0,,0,0,0,0 | |
| 6325 C(COc1ccccc1)Oc2ccccc2,,1,0,0,0,0,1 | |
| 6326 N1c2ccccc2Sc3ccccc13,,0,0,0,0,0,0 | |
| 6327 CCC(=O)N(c1ccccc1)C2(COC)CCN(CCc3cccs3)CC2,1,1,0,0,,,1 | |
| 6328 Cc1ccc(O)c(c1)C(=O)c2ccccc2,,0,0,,0,0,0 | |
| 6329 CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C6=COC(=O)C=C6)C(O)C(O)C1O,1,1,,,0,,1 | |
| 6330 COC1C(O)CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C7(C)C(CCC67O)C8=CC(=O)OC8)C4)OC3C)OC2C)OC1C,1,,,1,0,,1 | |
| 6331 CCC(C)CO,0,0,0,0,0,0,0 | |
| 6332 CCCCNC(=O)OCC#CI,,1,,,,,1 | |
| 6333 FC(F)(F)c1ccc(Cl)c(Cl)c1,0,0,0,0,0,0,0 | |
| 6334 CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O,0,0,0,0,0,0,0 | |
| 6335 CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12)C(C)C,1,,,,,1,1 | |
| 6336 NC1C(O)OC(CO)C(O)C1O,0,0,0,0,0,0,0 | |
| 6337 CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1,,,0,0,0,0,0 | |
| 6338 CC(C)NCC(O)c1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 6339 CC(=CCOc1ccc(C=CC(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1)C,,1,1,1,,1,1 | |
| 6340 COc1cccc2sc(N)nc12,0,0,0,0,0,0,0 | |
| 6341 CC(=O)OC(C)(C)CCCC(=C)C=C,0,0,0,0,0,0,0 | |
| 6342 OC1OC2C(O)C(=O)OC2C1O,0,0,0,0,0,0,0 | |
| 6343 Brc1ccc(cc1)C2C(=O)c3ccccc3C2=O,0,0,0,0,0,,0 | |
| 6344 CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)c2ccccc2,0,0,0,0,0,0,0 | |
| 6345 CN1C=CC(=O)C(=C1C)O,0,,0,0,0,,0 | |
| 6346 Cc1cc(C)c(C)c(C)c1,0,0,0,,0,0,0 | |
| 6347 OC(=O)CCCCCCCCCC(=O)O,,0,0,0,0,0,0 | |
| 6348 CCOc1cc(C=O)ccc1O,0,0,0,0,0,0,0 | |
| 6349 CN(c1ccc2c(C)n(C)nc2c1)c3ccnc(Nc4ccc(C)c(c4)S(=O)(=O)N)n3,1,1,,,1,1,1 | |
| 6350 O=C1CCCC=C1,0,0,0,0,0,0,0 | |
| 6351 CCC(=O)N(C1CCN(CC1)C(C)Cc2ccccc2)c3ccccc3,0,0,0,0,0,0,0 | |
| 6352 COP(=S)(Cl)OC,0,0,0,0,0,0,0 | |
| 6353 COC(C)(C)CCCC(C)CC=O,0,0,0,0,0,0,0 | |
| 6354 CC(COC(=O)c1ccccc1)OC(=O)c2ccccc2,0,,0,0,0,,0 | |
| 6355 COc1ccc(C(=O)c2ccccc2O)c(O)c1,,0,,,0,,0 | |
| 6356 CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC,0,0,0,0,0,0,0 | |
| 6357 CC(=O)CC(=O)OCCOC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 6358 C(OCc1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 6359 CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCNCC3,,0,0,0,0,0,0 | |
| 6360 OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,,1,0,,,,1 | |
| 6361 Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl,0,,,0,,,0 | |
| 6362 C=CCOC(=O)c1ccc(C(=O)OCC=C)c(c1)C(=O)OCC=C,0,0,0,0,0,,0 | |
| 6363 CC1(C)C2CCC(C2)C1=C,0,0,0,0,0,0,0 | |
| 6364 CC(C)(C)NCC(O)c1ccccc1Cl,0,0,0,0,0,0,0 | |
| 6365 Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1,0,,0,0,0,,0 | |
| 6366 C1CCCC1,,0,,,0,0,0 | |
| 6367 Cc1ccccc1C,0,0,0,0,0,0,0 | |
| 6368 Clc1ccc(C=O)cc1Cl,0,0,0,0,0,0,0 | |
| 6369 CCc1cc(OC)c(CC(C)N)cc1OC,0,0,0,0,,0,0 | |
| 6370 Nc1ccc(N)c2C(=O)c3ccccc3C(=O)c12,,,,,,0,0 | |
| 6371 COCCCOCCCOC,0,0,0,0,0,0,0 | |
| 6372 Cc1c(ccc(c1C2=NOCC2)S(=O)(=O)C)C(=O)c3cnn(C)c3O,0,,0,0,0,0,0 | |
| 6373 OCC(O)C(O)CO,0,0,0,0,0,0,0 | |
| 6374 CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)C(O)(CC)C(=O)OC4,1,1,,,1,,1 | |
| 6375 Oc1cc(Cl)cc(Cl)c1Cl,,,,0,1,,1 | |
| 6376 [O-][N+](=O)c1oc(C=NN2CC(CN3CCOCC3)OC2=O)cc1,0,0,0,0,0,0,0 | |
| 6377 NCCN1CCOCC1,0,0,0,0,0,0,0 | |
| 6378 CCCCCCCCCCCCCCCCCC[N+](C)(C)C,1,1,,,,,1 | |
| 6379 NCC1CCC(CC1)C(=O)O,0,,0,0,0,,0 | |
| 6380 COc1cc(ccc1OCCCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)C,0,0,0,,,,0 | |
| 6381 CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC,,0,,0,0,0,0 | |
| 6382 COc1ccc(C=NNC(=O)c2ccncc2)cc1OC,0,0,0,0,0,0,0 | |
| 6383 CCOC(OCC)C=C,,,,,0,0,0 | |
| 6384 COc1ccccc1O,0,0,0,0,0,0,0 | |
| 6385 Oc1ccc(O)c2C(=O)c3ccccc3C(=O)c12,0,,,,0,0,0 | |
| 6386 COc1ccc(cc1OC)C2NC(=S)N3C(NC(=S)N23)c4ccc(OC)c(OC)c4,,1,,,,,1 | |
| 6387 CC1=C(O)C(=O)CO1,0,0,0,0,0,0,0 | |
| 6388 NCCNCCNCCNCCN,0,0,0,0,0,0,0 | |
| 6389 O=C1N(CC2CO2)C(=O)N(CC3CO3)C(=O)N1CC4CO4,1,1,,1,1,1,1 | |
| 6390 CCC=C(C(=O)NC1C2SCC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)COC(=O)N)c3csc(N)n3,0,,0,0,0,0,0 | |
| 6391 CCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)N2CC(CC2C(=O)O)C3CCCCC3)C(C)C,,,,0,0,,0 | |
| 6392 CC(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC#C)C1(C)C)C,1,1,,,,,1 | |
| 6393 OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 6394 C[N+]1(C)C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4,0,0,0,0,,0,0 | |
| 6395 Nn1cnnc1,0,0,0,0,0,0,0 | |
| 6396 CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O,0,,0,0,0,,0 | |
| 6397 COc1ccc(C(=O)c2cccc(O)c2)c(OC)c1,,1,0,0,,,1 | |
| 6398 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ccccn3,0,0,0,0,0,0,0 | |
| 6399 OCC1OC(CC1O)N2C=C(Br)C(=O)NC2=O,0,1,1,,0,0,1 | |
| 6400 Nc1ccc(Oc2ccc(Cl)cc2)cc1,1,,1,1,,0,1 | |
| 6401 COC(=O)C1=C(N=C(C)C(=C(O)OC(C)C)C1c2cccc(c2)[N+](=O)[O-])C#N,1,,1,,,,1 | |
| 6402 Oc1cccc2cccnc12,,1,0,,,1,1 | |
| 6403 CCC(CO)(CO)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 6404 CCCC1CCCCN1,0,0,0,0,0,0,0 | |
| 6405 NC(=S)Nc1ccccc1,0,0,0,0,,0,0 | |
| 6406 CC(O)C(C)O,0,0,0,0,,0,0 | |
| 6407 Cc1cccc(C)c1NC(=O)CN2CCCC2,0,0,0,0,0,0,0 | |
| 6408 CNC(=S)NC,0,0,0,0,,0,0 | |
| 6409 OCC(Cc1cccc(O)c1)C(CO)Cc2cccc(O)c2,1,0,0,,,0,1 | |
| 6410 Oc1c(cc(c2cccnc12)S(=O)(=O)O)C(=O)Nc3ccc(C=Cc4ccc(NC(=O)c5cc(c6cccnc6c5O)S(=O)(=O)O)cc4S(=O)(=O)O)c(c3)S(=O)(=O)O,0,,0,0,,,0 | |
| 6411 CNC1(CCCCC1=O)c2ccccc2Cl,0,,0,0,0,,0 | |
| 6412 CC(C)(C)N(CCO)CCO,0,,0,,0,0,0 | |
| 6413 OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1,,0,,,,,0 | |
| 6414 CC(C)(C)c1ccc(N)cc1,0,,0,0,0,0,0 | |
| 6415 OCl=O,0,0,0,0,0,0,0 | |
| 6416 CC(=O)c1ccc2OC(C)(C)C(O)C(NC(=O)c3ccc(F)cc3)c2c1,0,0,0,0,0,0,0 | |
| 6417 CCOP(=O)(O)C(=O)N,0,0,0,0,0,0,0 | |
| 6418 CCOC(=N)CC(=O)OCC,0,0,0,0,0,0,0 | |
| 6419 O=C(NNCNNC(=O)c1ccncc1)c2ccncc2,0,,0,0,0,,0 | |
| 6420 CC1=CC(=O)CC(C)(C)C1=O,0,0,0,0,0,0,0 | |
| 6421 CCC(=O)N(C1CCN(CCc2ccccc2)CC1C)c3ccccc3,,1,0,0,,,1 | |
| 6422 OCCN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,0,0,,0,0,0,0 | |
| 6423 Nc1ccc2cc3ccccc3cc2c1,1,1,,1,,,1 | |
| 6424 CC1CCC(C=C(C)C(=O)O)C2=C(C)CC(O)C12,0,0,0,0,0,0,0 | |
| 6425 Oc1ccc(cc1)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 6426 COC1C(CC2CN3CCc4c([nH]c5ccccc45)C3CC2C1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6,1,1,,,,1,1 | |
| 6427 CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,1,1,,1,,1,1 | |
| 6428 CCCn1cc[n+](C)c1,0,0,0,0,0,0,0 | |
| 6429 CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1,0,0,0,0,0,0,0 | |
| 6430 C1CCN2CC3CC(CN4CCCCC34)C2C1,0,0,0,0,0,0,0 | |
| 6431 ClCCOCCOCCCl,0,,0,0,0,0,0 | |
| 6432 OC(=O)c1cccc(Cl)n1,0,0,0,0,0,0,0 | |
| 6433 CCN(CC)CCNC(=O)c1ccc(Cl)cc1OCC=C,0,0,0,0,,0,0 | |
| 6434 Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O,1,,,1,0,,1 | |
| 6435 CC(=O)OCC1OC(C(OC(=O)C)C1OC(=O)C)N2N=CC(=O)NC2=O,,1,,1,0,1,1 | |
| 6436 CC1(C)OCC2OC3(OC(C)(C)OC3C2O1)C(=O)O,0,0,0,0,0,0,0 | |
| 6437 OC(=O)C(Cc1cc(O)nc2ccccc12)NC(=O)c3ccc(Cl)cc3,0,0,0,0,0,0,0 | |
| 6438 CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2,1,1,1,1,,,1 | |
| 6439 C[N+]1([O-])C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3,0,,0,0,0,,0 | |
| 6440 CC(O)C1C2C(C)C(=C(N2C1=O)C(=O)O)SC3CNC(C3)C(=O)N(C)C,0,0,0,0,0,0,0 | |
| 6441 CC(C)OC(=O)c1cc2c(OCC(O)CNC(C)(C)C)cccc2[nH]1,,0,0,0,,0,0 | |
| 6442 OCC(O)C(O)C(O)C(O)C(=O)O,0,0,0,0,0,0,0 | |
| 6443 CC(C)(C)OC(=O)c1cccc(N)c1,0,1,,0,0,0,1 | |
| 6444 Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12,0,0,0,0,0,0,0 | |
| 6445 C=CC(=O)N1CCOCC1,0,0,0,0,0,0,0 | |
| 6446 CC1COc2ccccc2N1C(=O)C(Cl)Cl,1,1,1,,,1,1 | |
| 6447 CN(C)C(=O)Nc1ccccc1,,0,0,0,0,,0 | |
| 6448 N#CC=CC#N,1,1,1,,,1,1 | |
| 6449 Cc1cc(SCc2sc(nc2C)c3ccc(c(F)c3)C(F)(F)F)ccc1OCC(=O)O,,,,,,1,1 | |
| 6450 OP(=O)(O)O,0,0,0,0,0,0,0 | |
| 6451 CCCCOC(=O)CCS,0,1,0,,,0,1 | |
| 6452 CC12CCC3C(CCC4NC(=O)C=CC34C)C1CCC2C(=O)Nc5cc(ccc5C(F)(F)F)C(F)(F)F,,1,1,0,,,1 | |
| 6453 COP(=S)(NC(C)C)Oc1ccc(C)cc1[N+](=O)[O-],1,1,0,,0,0,1 | |
| 6454 CCCCN(CCCC)N=O,0,0,0,0,0,0,0 | |
| 6455 COc1cc(C=O)cc2N3CC4C(N4C(=O)C)C(OC(=O)C)(O3)C(COC(=O)N)c12,1,1,1,,,1,1 | |
| 6456 COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2,0,0,0,0,0,0,0 | |
| 6457 Oc1cccc(c1)[N+](=O)[O-],0,,0,0,0,0,0 | |
| 6458 O=C1NC(=O)c2ccccc12,0,0,0,0,0,0,0 | |
| 6459 CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C,0,0,0,0,0,0,0 | |
| 6460 COc1cc2CC[N+](C)(C)C3Cc4ccc(O)c(Oc5cc6C(Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4,0,0,0,0,0,0,0 | |
| 6461 CCC(C)Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-],,0,0,0,,,0 | |
| 6462 CC(C)c1ccc(cc1)C(C)C,0,0,0,0,0,0,0 | |
| 6463 OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(=O)O,0,0,0,0,0,0,0 | |
| 6464 CC(C)NCC(O)c1ccc(N)c(c1)C#N,,0,0,0,0,0,0 | |
| 6465 Fc1ccccc1c2ccccc2,0,0,0,0,0,0,0 | |
| 6466 OC(=O)c1cc(Cl)cc(c1Cl)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 6467 COc1ccccc1N2CCN(CCCCNC(=O)c3ccc(cc3)c4ccc(cc4)C(=O)C)CC2,0,,0,0,,0,0 | |
| 6468 CCCCCBr,0,0,0,0,0,0,0 | |
| 6469 CC(=O)c1c(C)cc(cc1C)C(C)(C)C,0,0,0,0,0,0,0 | |
| 6470 CCCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C#C,1,1,,,,,1 | |
| 6471 CNC(=O)OCc1cccc(COC(=O)NC)n1,0,,0,0,0,,0 | |
| 6472 OCCN(CCO)CCC#N,0,0,0,0,0,0,0 | |
| 6473 Oc1ccc(cc1)C(c2ccc(O)cc2)C(Cl)(Cl)Cl,1,1,1,,,1,1 | |
| 6474 COCC(C)N(C(=O)CCl)c1c(C)csc1C,,,0,,0,1,1 | |
| 6475 Cc1ccc(cc1)C(=CCN2CCCC2)c3cccc(C=CC(=O)O)n3,0,,0,0,0,,0 | |
| 6476 COc1ccccc1NC(=O)c2cc3ccccc3cc2O,1,1,,1,1,,1 | |
| 6477 OC(=O)C1=CC(=O)c2ccccc2O1,0,0,0,0,,0,0 | |
| 6478 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)C(=NOCOCCOC)C(C)C(O)C1(C)O,0,0,0,0,0,0,0 | |
| 6479 C1COC1,,0,,0,,0,0 | |
| 6480 OCC=Cc1ccccc1,0,0,0,0,0,0,0 | |
| 6481 Clc1ccc(cc1)C(c2ccccc2Cl)C(Cl)(Cl)Cl,,1,,0,,,1 | |
| 6482 CC(=O)NC(CCC(=O)N)C(=O)O,0,0,0,0,0,0,0 | |
| 6483 CCCCCOc1ccc(cc1OCC)C2SC(=O)NC2=O,1,0,,,1,1,1 | |
| 6484 NCc1ccccc1CC(=O)NC2C3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4CC(=O)O,0,,0,0,0,,0 | |
| 6485 Oc1ccc2cc(ccc2c1)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 6486 COc1ccc2C(=O)C(=C(Oc2c1CN(C)C)c3ccccc3)C,0,,0,1,0,,1 | |
| 6487 CCCCCCCCCl,0,0,0,0,0,0,0 | |
| 6488 CCN(C(=O)C=CC)c1ccccc1C,0,0,0,0,0,0,0 | |
| 6489 CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F,,,0,,,1,1 | |
| 6490 OCN1C(=O)c2ccccc2C1=O,0,0,0,0,0,0,0 | |
| 6491 Oc1ccc(Cl)cc1Sc2cc(Cl)ccc2O,,1,,,1,,1 | |
| 6492 CNC1C(O)C(NC)C2OC3(O)C(OC(C)CC3=O)OC2C1O,0,0,0,0,0,0,0 | |
| 6493 [O-][N+](=O)c1cc(c2ccccc2c1)[N+](=O)[O-],1,,1,0,1,0,1 | |
| 6494 O=C(Cc1ccccc1)OCCc2ccccc2,0,0,0,0,0,0,0 | |
| 6495 CC(=O)OCC(=O)Nc1cc(cc(NC(=O)COC(=O)C)c1Cl)C#N,0,0,0,0,0,0,0 | |
| 6496 CC[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 6497 CC(C)C1CCC(O)CC1,0,0,0,0,0,0,0 | |
| 6498 Oc1ccccc1C=NCc2ccccc2,,0,0,0,,0,0 | |
| 6499 COc1cc2CCN(C)CC(c3ccccc3)c2cc1OC,0,,0,0,,,0 | |
| 6500 CCCCOCCOCCOC(=O)C,0,0,0,0,0,0,0 | |
| 6501 CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O,0,,0,0,,,0 | |
| 6502 [O-][N+](=O)c1c(Cl)cccc1c2c[nH]cc2Cl,1,1,,,,,1 | |
| 6503 CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1,1,1,1,1,,1,1 | |
| 6504 O=C1CCN(N1)c2ccccc2,0,,0,1,,,1 | |
| 6505 SCCc1cnccn1,0,,1,0,0,0,1 | |
| 6506 CCOC(=O)CC(=O)C,0,0,0,0,0,0,0 | |
| 6507 Nc1ccc2c(Cc3ccccc23)c1,1,1,,1,,0,1 | |
| 6508 SC(=S)N1CCNCC1,0,,0,0,0,,0 | |
| 6509 CC(=CCCC(=CCCC(=CCOC(=O)C)C)C)C,0,,,0,0,,0 | |
| 6510 COC1C(O)C(N)C(OC2OC(CCC2N)C(C)N)C(O)C1N(C)C(=O)CN,0,,0,0,0,,0 | |
| 6511 O=Cc1occc1,0,0,0,0,0,0,0 | |
| 6512 CNCC(=O)c1ccc(O)c(O)c1,0,,0,0,0,0,0 | |
| 6513 CCN1CCCC1CNC(=O)c2c(O)c(Cl)cc(Cl)c2OC,0,0,0,0,0,0,0 | |
| 6514 NS(=O)(=O)c1ccccc1OC(F)(F)F,0,0,0,0,0,0,0 | |
| 6515 CC(C)CCCC(C)N,0,0,0,0,0,,0 | |
| 6516 Clc1ccc(CN(C2CCCC2)C(=O)Nc3ccccc3)cc1,1,1,1,0,,1,1 | |
| 6517 ClC(Cl)(Cl)SN1C(=O)C2CC=CCC2C1=O,,1,0,,,0,1 | |
| 6518 NC(Cc1ccc(Cl)cc1)C(=O)O,0,0,0,0,0,0,0 | |
| 6519 CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1,1,1,,,,,1 | |
| 6520 CC(C)(C)c1ccc(OCC2CO2)cc1,0,1,,,0,0,1 | |
| 6521 CN1C(=O)COc2c1cc(Cl)cc2C(=O)NC3CN4CCC3CC4,,0,0,1,,0,1 | |
| 6522 CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,1,1,1,1,,1,1 | |
| 6523 CCCCn1cc[n+](C)c1C,0,0,0,0,0,0,0 | |
| 6524 CCN(CCC#N)c1ccc(cc1)N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-],,0,0,,,0,0 | |
| 6525 CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,0,0,0,0,0,0,0 | |
| 6526 C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,,1,,,,,1 | |
| 6527 CC(C)(C)OC(=O)c1ncn2c1C3CCCN3C(=O)c4c(Br)cccc24,0,0,0,0,0,0,0 | |
| 6528 C[n+]1ccn(CC=C)c1,0,0,0,0,0,0,0 | |
| 6529 CNC(=O)Oc1ccccc1C2OCCO2,0,0,0,0,0,0,0 | |
| 6530 CC1CC(O)CC(C)(C)C1,0,0,0,0,0,0,0 | |
| 6531 O=C(CS(=O)Cc1occc1)NCC=CCOc2cc(CN3CCCCC3)ccn2,0,0,0,0,,0,0 | |
| 6532 CN(C)CCCSc1ccccc1NC(=O)C=Cc2ccccc2,0,,,1,,0,1 | |
| 6533 Oc1ccc2cc(cc(c2c1N=Nc3ccccc3)S(=O)(=O)O)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 6534 CN1C2CCC1CC(O)C2,0,0,0,0,0,0,0 | |
| 6535 CCCCCCCCCCOC1OC(CO)C(O)C(O)C1O,,0,0,0,,0,0 | |
| 6536 CON=C(C(=O)NC1C2SCC=C(N2C1=O)C(=O)O)c3csc(N)n3,0,,0,0,0,,0 | |
| 6537 CCC(=O)NS(=O)(=O)c1ccc(cc1)c2c(C)onc2c3ccccc3,,,0,1,0,1,1 | |
| 6538 Cc1cc(O)ccc1O,,,0,,,,0 | |
| 6539 CC(C)(C)c1ccc(cc1)C(=O)CCCCl,,1,,,,,1 | |
| 6540 OC(=O)c1c(Cl)cccc1Cl,0,0,0,0,0,0,0 | |
| 6541 COC1C(CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(C2O)N(C)C)OC(=O)C,0,,0,0,0,,0 | |
| 6542 Oc1c(I)cc(Cl)c2cccnc12,,1,1,0,,0,1 | |
| 6543 CC(C)(C)CC(C)(C)c1ccccc1O,,1,,,,,1 | |
| 6544 CSC1=NC(C)(C(=O)N1Nc2ccccc2)c3ccccc3,1,,,1,1,1,1 | |
| 6545 O=C(c1ccccc1)c2ccccc2,0,0,0,0,0,0,0 | |
| 6546 CCC(=C(CC)c1ccc(O)cc1)c2ccc(O)cc2,1,1,1,0,,1,1 | |
| 6547 CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC12C)C(=O)C,1,1,1,1,,0,1 | |
| 6548 CCS(=O)(=O)CCSP(=O)(OC)OC,0,0,0,0,0,0,0 | |
| 6549 CC(S)C(=O)NCC(=O)O,0,0,0,0,0,0,0 | |
| 6550 N#Cc1cc2ccccc2c3ccccc13,1,1,,1,0,0,1 | |
| 6551 CC1(C)CC(CC(C)(C)N1)OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2,0,0,0,0,,0,0 | |
| 6552 OC(=O)CONC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 6553 CCC12CCC3C(CCC4=CC(=O)CCC34)C1C=CC2(O)C#C,1,1,1,,,0,1 | |
| 6554 CCNc1nc(NCC)nc(SC)n1,1,0,,0,0,0,1 | |
| 6555 CC(C)(O)C(=O)O,0,0,0,0,0,0,0 | |
| 6556 CC(C)(C)S,0,0,0,0,0,0,0 | |
| 6557 CNC(=O)Oc1cccc2OC(C)(C)Oc12,0,,,0,0,0,0 | |
| 6558 NCCCCCC(=O)O,0,0,0,0,0,0,0 | |
| 6559 O=C(OC1CC2CC3CC(C1)N2CC3=O)c4c[nH]c5ccccc45,1,,0,0,,,1 | |
| 6560 CCCOCCO,0,0,0,0,0,0,0 | |
| 6561 OC(CC(C1=C(O)Oc2ccccc2C1=O)c3ccccc3)c4ccc(cc4)c5ccc(Br)cc5,,,,0,1,1,1 | |
| 6562 NCCCCCCNCCCCCCN,0,0,0,0,0,0,0 | |
| 6563 COc1ccc(C=CC(=O)c2ccc(OC)cc2OC)cc1,,1,1,1,,1,1 | |
| 6564 CC1(C)Cc2cccc(N)c2O1,0,0,0,0,0,0,0 | |
| 6565 Cc1cccc2c1cc3ccc4cccc5ccc2c3c45,1,,1,0,,1,1 | |
| 6566 CCCCCCCCN1CN(C)C=C1,,,,,,0,0 | |
| 6567 [O-][N+](=O)c1cccc(C=O)c1,0,0,0,0,0,0,0 | |
| 6568 ClCc1ccccn1,0,0,0,0,0,0,0 | |
| 6569 COC=O,0,0,0,0,0,0,0 | |
| 6570 CCOC(=O)C1=CC(OC(CC)CC)C(NC(=O)C)C(N)C1,0,,0,0,0,,0 | |
| 6571 NCCN1CCNC1=O,0,0,0,0,0,0,0 | |
| 6572 CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)Cc4ccccc4,0,0,0,0,0,0,0 | |
| 6573 CC(O)C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN,0,0,0,0,0,0,0 | |
| 6574 NC(=O)c1ccccc1N,0,0,0,0,0,0,0 | |
| 6575 CCCC1CCC(=O)O1,0,0,0,,0,0,0 | |
| 6576 CCCC(=O)C(=O)C,0,0,0,0,0,0,0 | |
| 6577 OCC(=O)O,0,0,0,0,0,0,0 | |
| 6578 COC1=C(N2C(SC1)C(NC(=O)C(N)C3=CCC=CC3)C2=O)C(=O)O,0,,0,0,0,,0 | |
| 6579 CC(C)CCCCCCOC(=O)c1ccc(C(=O)OCCCCCCC(C)C)c(c1)C(=O)OCCCCCCC(C)C,,,0,0,0,0,0 | |
| 6580 O=C=NCC1CCCC(CN=C=O)C1,0,0,0,0,0,0,0 | |
| 6581 Cc1cccc(C)c1NC(=O)CN2CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC2,0,,0,0,,,0 | |
| 6582 CCCCCOC(=O)CCCC,0,0,0,,0,0,0 | |
| 6583 OC(C1CC2CCN1CC2C=C)c3ccnc4ccccc34,,,0,,0,,0 | |
| 6584 CC(O)C#CC(C)O,1,1,,,,1,1 | |
| 6585 CC1OC(CC(O)C1OC2CC(O)C(OC3CC(OC(=O)C)C(OC4OC(CO)C(O)C(O)C4O)C(C)O3)C(C)O2)OC5CCC6(C)C(CCC7C6CC(O)C8(C)C(CCC78O)C9=CC(=O)OC9)C5,1,1,,,0,,1 | |
| 6586 Nc1ccc(Cc2ccc(N)cc2)cc1,0,0,0,0,0,0,0 | |
| 6587 Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4,1,1,1,,,1,1 | |
| 6588 CN(CC(=O)N1CCOCC1)Cc2c(Cl)cccc2NC(=O)c3ccccc3,0,,0,0,0,,0 | |
| 6589 CN(CS(=O)(=O)O)C1=C(C)N(C)N(C1=O)c2ccccc2,0,0,0,0,0,0,0 | |
| 6590 CCNc1cccc(C)c1,0,0,0,0,0,0,0 | |
| 6591 NCCC(O)(P(=O)(O)O)P(=O)(O)O,0,0,0,0,0,0,0 | |
| 6592 OC(=O)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(OC(=O)C=Cc2ccc(O)c(O)c2)C(=O)O,0,0,0,0,0,0,0 | |
| 6593 CCC1(C(=O)NC(=O)N(C)C1=O)c2ccccc2,0,,0,0,0,,0 | |
| 6594 CC(=O)c1ccccc1[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 6595 CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],0,0,0,0,,,0 | |
| 6596 CC(CN1c2ccccc2Sc3ccccc13)N(C)C,,1,0,0,,,1 | |
| 6597 CCCCCCCCCCCCCC(=O)OCC(O)CO,0,0,0,,1,0,1 | |
| 6598 COS(=O)(=O)C,0,0,0,0,0,0,0 | |
| 6599 Cc1ccc(N)c(N)c1,1,1,0,,,0,1 | |
| 6600 O=C1NNC(=O)C=C1,0,0,0,0,0,0,0 | |
| 6601 OC(=O)c1cc(ccc1O)c2ccc(F)cc2F,,0,,0,0,1,1 | |
| 6602 CC(C)c1cc(OC(=O)C)c(C)cc1OCCN(C)C,0,0,0,0,,0,0 | |
| 6603 CC(C)(C)c1ccccc1O,0,0,0,0,0,0,0 | |
| 6604 CC1=CC(=O)Oc2cc(OCC#C)ccc12,1,,0,1,0,,1 | |
| 6605 CNC(=O)c1ccccc1,0,0,,0,0,0,0 | |
| 6606 OS(=O)(=O)Oc1ccc(cc1)C(c2ccc(OS(=O)(=O)O)cc2)c3ccccn3,0,,0,0,0,,0 | |
| 6607 CCCc1c(O)c(ccc1OCCCCc2nn[nH]n2)C(=O)C,,1,1,1,1,1,1 | |
| 6608 CC(=O)OCC(COC(=O)C)OC(=O)C,0,0,0,0,0,0,0 | |
| 6609 CCOCCOC(=O)C,0,0,0,0,0,0,0 | |
| 6610 Cc1ccccc1N=Nc2ccc(N=Nc3c(O)ccc4ccccc34)c(C)c2,,1,0,0,,0,1 | |
| 6611 COC(=O)CC(C)(C)C=C,0,,0,0,,0,0 | |
| 6612 CSc1cnc(C)cn1,0,0,0,0,0,0,0 | |
| 6613 CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CCC(O)CC(O)CC(=O)O,1,1,1,1,,1,1 | |
| 6614 CCCCC(CC)C(O)C#C,0,0,0,0,0,0,0 | |
| 6615 CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1,0,0,0,0,0,0,0 | |
| 6616 CNC(=O)Oc1cc(C)c(N(C)C)c(C)c1,,0,0,0,0,0,0 | |
| 6617 CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c3ccccc3)CCCCC1,1,,,1,,0,1 | |
| 6618 CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N,,1,1,,,1,1 | |
| 6619 OC(=O)c1cccc(Oc2ccccc2)c1,0,0,0,0,0,,0 | |
| 6620 CNC1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13,1,1,1,0,,,1 | |
| 6621 CN1SC(=CC1=O)Cl,,0,0,,0,0,0 | |
| 6622 OS(=O)(=O)CCCN1CCOCC1,0,0,0,0,0,0,0 | |
| 6623 COc1cc(NC(=O)CC(=O)C)c(OC)cc1Cl,0,,0,,0,1,1 | |
| 6624 [O-][N+](=O)c1ccc(SC#N)c(c1)[N+](=O)[O-],,1,,,,,1 | |
| 6625 CCNc1nc(Cl)nc(NC(C)(C)C#N)n1,0,0,0,0,0,0,0 | |
| 6626 CCC#N,0,0,0,0,0,0,0 | |
| 6627 CCC(Cc1c(I)cc(I)c(O)c1I)C(=O)O,0,,0,0,0,,0 | |
| 6628 Cc1ccc2C(=O)c3ccccc3C(=O)c2c1[N+](=O)[O-],1,1,,,,1,1 | |
| 6629 CCC(CO)CO,0,0,0,0,0,,0 | |
| 6630 CCCCC(CC)C(=O)Cl,0,0,0,0,,0,0 | |
| 6631 OCCCCOC=C,0,0,0,0,0,0,0 | |
| 6632 CC(C)(C(=O)O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4,0,0,0,0,0,0,0 | |
| 6633 CC(=O)Nc1ccccc1C,0,0,0,0,0,0,0 | |
| 6634 OC1N=C(c2ccccc2Cl)c3cc(Cl)ccc3NC1=O,,,,0,0,,0 | |
| 6635 CC(=CCOc1c2OC(=O)C=Cc2cc3ccoc13)C,0,0,0,,0,0,0 | |
| 6636 Nc1ccc(Nc2ccccc2)cc1,1,1,,0,,0,1 | |
| 6637 CN(Cc1ccccc1)Cc2ccccc2,0,,0,0,0,,0 | |
| 6638 COC(=O)CCC(N)C(=O)O,0,,0,0,0,,0 | |
| 6639 CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2,,,0,0,0,,0 | |
| 6640 ON=C1CCCCC1,0,0,0,0,0,0,0 | |
| 6641 CCCCCCCCCC(=O)N(C)C,0,0,0,0,0,,0 | |
| 6642 CC1(O)CCC2C3CCC4CC(=C(CC4(C)C3CCC12C)C=O)O,1,1,0,1,1,,1 | |
| 6643 CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2c(F)c(F)cc(F)c2F,0,,0,0,0,,0 | |
| 6644 CC(=CCCC(=CCOC=O)C)C,0,0,0,0,0,0,0 | |
| 6645 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(O)C(=O)CO,1,,1,1,0,0,1 | |
| 6646 Cc1onc(NS(=O)(=O)c2ccc(N)cc2)c1,0,0,0,0,0,0,0 | |
| 6647 COC(=O)C(Cl)C(=O)OC,0,,0,0,0,0,0 | |
| 6648 CC1CC=C(C)C(C=CC(=O)C)C1(C)C,0,0,0,0,0,0,0 | |
| 6649 COC(=O)CC(C(=O)C)C(=O)OC,0,0,0,0,0,0,0 | |
| 6650 CCC(C)(O)CCCC(C)C,0,0,0,0,0,0,0 | |
| 6651 Oc1ccnc(O)n1,0,0,0,0,0,0,0 | |
| 6652 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)CCC(=O)O)c(C)c(C)c2O1,0,0,0,0,,0,0 | |
| 6653 CCC1=C(C)C2=CC3=NC(=CC4=NC(=C(CC(=O)O)C5=NC(=C(C)C5=C(O)O)C=C1N2)C(CCC(=O)O)C4C)C(=C3C=C)C,,,0,0,,,0 | |
| 6654 COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO,1,1,1,,0,1,1 | |
| 6655 OCC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)C(O)C(O)C1O,1,,,1,0,,1 | |
| 6656 COc1ccc(OC)c(OC)c1,0,0,0,0,0,0,0 | |
| 6657 CCC(=O)C,0,0,0,0,0,0,0 | |
| 6658 OCCc1ccc(cc1)[N+](=O)[O-],0,0,0,,0,0,0 | |
| 6659 COc1ccc(cc1C23CC4CC(CC(C4)C2)C3)c5ccc6cc(ccc6c5)C(=O)O,0,1,1,1,,,1 | |
| 6660 CC1=CN(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC1=O,0,0,0,0,0,0,0 | |
| 6661 Nc1ccc(cc1)S(=O)(=O)Nc2ccnn2c3ccccc3,0,0,0,0,0,0,0 | |
| 6662 CC(C)(O)C1CCC(C)(O)CC1,0,,0,0,0,,0 | |
| 6663 CCc1cccc(C)c1N,0,0,0,0,0,0,0 | |
| 6664 CCCCCCI,0,0,0,0,0,0,0 | |
| 6665 BrCC#N,0,0,0,0,0,0,0 | |
| 6666 CCC(Cl)C(Cl)C(Cl)CC(Cl)C(Cl)C(C)Cl,,1,1,0,,0,1 | |
| 6667 CS(=O)C,0,0,0,0,0,0,0 | |
| 6668 CC(=C)CS(=O)(=O)O,0,0,0,0,0,0,0 | |
| 6669 CCCCCCCCCCCC[N+](C)(C)C,1,1,,1,,,1 | |
| 6670 COC(=O)NS(=O)(=O)c1ccc(N)cc1,0,0,0,0,0,0,0 | |
| 6671 COc1ccc(cc1)C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(=O)C,0,,,0,,0,0 | |
| 6672 Fc1ccccc1C(=O)Cl,0,0,0,0,0,0,0 | |
| 6673 CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC,,0,0,0,0,0,0 | |
| 6674 CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC,1,,1,,,1,1 | |
| 6675 Cc1ccc(Cl)c(O)c1,0,0,0,0,0,0,0 | |
| 6676 Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1,0,,0,0,0,,0 | |
| 6677 CCC(C)(C)c1cc(c(O)c(c1)C(C)(C)CC)n2nc3ccccc3n2,0,0,0,0,0,0,0 | |
| 6678 CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,0,0,0,0,0,0,0 | |
| 6679 ClC(=O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 6680 O=C1Oc2ccccc2C=C1,0,0,0,0,0,0,0 | |
| 6681 NC(=O)CN1CC(O)CC1=O,0,,0,0,0,,0 | |
| 6682 CN1N=Nc2c(ncn2C1=O)C(=O)N,0,0,0,0,0,0,0 | |
| 6683 CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O,1,1,,1,1,,1 | |
| 6684 [2H]C([2H])([2H])C(N)Cc1ccccc1,0,,0,0,0,,0 | |
| 6685 CCCOc1ccc2[nH]c(NC(=O)OC)nc2c1,1,,1,0,,,1 | |
| 6686 CCC(C)(CCC(C)C)C(=O)O,,0,0,0,0,0,0 | |
| 6687 C1CCN(CC1)C2(CCCCC2)c3cccs3,0,,0,0,0,,0 | |
| 6688 Cc1ccc(N)c(c1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 6689 Nc1ccc(C(=O)Oc2ccccc2)c(O)c1,1,1,0,,1,0,1 | |
| 6690 C1CCC(NC1)c2cccnc2,0,0,0,0,0,0,0 | |
| 6691 BrCC(Br)C1CCC(Br)C(Br)C1,1,0,0,0,,0,1 | |
| 6692 Cc1cc2CCCS(=O)(=O)c2cc1S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 6693 CCCCC(CC)COC(=O)COc1cc(Cl)c(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 6694 CC(=O)NCc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I,0,0,0,0,0,0,0 | |
| 6695 CC(C)CCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC(C)C)c(c1)C(=O)OCCCCCCCC(C)C,0,0,0,0,0,0,0 | |
| 6696 CC1(C)CC(N)CC(C)(C)N1,0,0,0,0,0,0,0 | |
| 6697 CN(C)NC(=O)CCC(=O)O,0,0,0,0,0,0,0 | |
| 6698 C=CC1CO1,,0,0,0,0,0,0 | |
| 6699 CCC(O)OCC(C)OC(O)CC,0,0,0,0,0,0,0 | |
| 6700 COc1cc(C=CC(=O)OC2CCC34CC35CCC6(C)C(CCC6(C)C5CCC4C2(C)C)C(C)CCC=C(C)C)ccc1O,1,,1,0,0,,1 | |
| 6701 CC(C)C#N,0,0,0,0,0,0,0 | |
| 6702 O=C1OC(=O)c2cccc3cccc1c23,0,0,,,,0,0 | |
| 6703 COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,0,,0,0,0,0,0 | |
| 6704 COc1ccc(C)cc1,0,0,0,0,0,0,0 | |
| 6705 Cc1cccc2cccnc12,0,0,,0,0,0,0 | |
| 6706 CSc1nc(NC(C)C)nc(N=[N+]=[N-])n1,,0,0,0,0,,0 | |
| 6707 CC(C)(c1ccccc1)c2ccccc2,,0,,0,0,0,0 | |
| 6708 CC(c1ncncc1F)C(O)(Cn2cncn2)c3ccc(F)cc3F,0,0,0,0,0,0,0 | |
| 6709 CCC(C1CCC(C)C(O1)C(C)C(O)C(C)C(=O)C(CC)C2OC3(OC4(CCC(C)(O4)C5CCC(O)(CC)C(C)O5)C(O)C=C3)C(C)CC2C)C(=O)O,,,1,0,,1,1 | |
| 6710 NC(=O)NNC(=O)N,,0,0,0,0,0,0 | |
| 6711 CCCCCCCCCCCCCCC=C,0,0,0,0,0,0,0 | |
| 6712 CCCCOC(=O)CCCCC(=O)OCCCC,0,0,0,0,0,0,0 | |
| 6713 CCN(CCO)CCO,0,0,0,0,0,0,0 | |
| 6714 Cc1ccc(C=NN2C(=S)SC=C2c3ccccc3)cc1,,,0,,1,1,1 | |
| 6715 COC(C)CCO,0,0,,0,0,0,0 | |
| 6716 CC(C)CCO,0,0,0,0,0,0,0 | |
| 6717 O=C1C(=Cc2cccs2)CCCC1=Cc3cccs3,,1,0,1,,,1 | |
| 6718 CC1CNCCc2ccc(Cl)cc12,0,0,0,0,0,0,0 | |
| 6719 Cc1c(OCC(F)(F)F)ccnc1CS(=O)c2nc3ccccc3[nH]2,,1,0,1,,,1 | |
| 6720 Cc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc3cc(C)cc(C)c3)c1,,0,,0,,0,0 | |
| 6721 NC1=NC(=O)N(C=C1)C2CSC(CO)O2,0,0,0,0,0,0,0 | |
| 6722 CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O,0,0,0,0,,,0 | |
| 6723 CC(C)C(C)C=CC(C)C1CCC2C(=CC=C3CC(O)CCC3C)CCCC12C,0,,,0,,,0 | |
| 6724 CCCCN=C=O,0,0,0,0,0,0,0 | |
| 6725 CCOP(=O)(O)OCC,1,,0,,0,0,1 | |
| 6726 CCCCCCCCCCCC(=O)OC,0,0,0,0,0,0,0 | |
| 6727 OC1CCCCCCCCCCC1,0,0,0,0,,0,0 | |
| 6728 OCCOC1C(O)OC(CO)C(O)C1O,1,1,1,1,,,1 | |
| 6729 Cc1ccc(cc1)C(=CCN2CCCC2)c3ccccn3,0,0,0,0,,0,0 | |
| 6730 OC(=O)CN(CC(=O)O)CC(=O)O,0,0,0,0,0,0,0 | |
| 6731 CC(C1CC1)C(O)(Cn2cncn2)c3ccc(Cl)cc3,,,,1,0,0,1 | |
| 6732 CCCCCCBr,0,0,0,0,0,0,0 | |
| 6733 CN(C(=S)Oc1ccc2ccccc2c1)c3cccc(C)c3,,1,0,1,0,0,1 | |
| 6734 Cc1cccc(Br)c1,0,0,0,0,0,0,0 | |
| 6735 CC(N)Cc1ccc(O)cc1,0,,0,0,0,,0 | |
| 6736 COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-],1,,0,1,0,0,1 | |
| 6737 CC(C)(O)c1ccccc1CCC(SCC2(CC(=O)O)CC2)c3cccc(C=Cc4ccc5ccc(Cl)cc5n4)c3,1,1,,1,,,1 | |
| 6738 OC(=O)CCCCC(=O)O,0,0,0,0,0,0,0 | |
| 6739 COc1ccc2c(C(=O)c3ccc(Cl)cc3)c(C)n(CC(=O)O)c2c1,0,0,,0,0,0,0 | |
| 6740 CCOP(=S)(OCC)SCSC(C)(C)C,0,0,0,0,,0,0 | |
| 6741 C1C2OC2C3C1C4CC3C5OC45,0,0,0,0,0,0,0 | |
| 6742 CC(C)(C)C(=O)c1ccccc1,0,,0,0,0,0,0 | |
| 6743 CC12CCC3C(CCC4=CC(=O)C=CC34C)C1CCC(=O)O2,0,1,0,,0,,1 | |
| 6744 CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1Cl)n2cncn2,,1,,,,,1 | |
| 6745 CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C,0,,0,0,0,0,0 | |
| 6746 CCCCCCCCCCOC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 6747 CC(=CCCl)Cl,0,,0,,,0,0 | |
| 6748 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)C)c(C)c(C)c2O1,0,0,0,0,0,0,0 | |
| 6749 CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I,,,0,0,0,0,0 | |
| 6750 CC(C)(OOC(C)(C)c1ccccc1)c2ccccc2,0,1,0,,,0,1 | |
| 6751 ClCC(=O)c1ccc(Cl)cc1Cl,0,1,1,1,,1,1 | |
| 6752 CC1N2Cc3c(Cl)cccc3N=C2NC1=O,0,,1,0,,,1 | |
| 6753 Cc1c[nH]cn1,0,0,0,0,0,0,0 | |
| 6754 OC(=O)c1ccc2cc(ccc2c1)C(=O)O,,0,0,0,0,0,0 | |
| 6755 OC(=O)C1=CN(c2ccccc2C(=O)O)c3cc(Cl)c(Nc4c(F)cc(F)cc4Cl)cc3C1=O,0,0,0,0,0,0,0 | |
| 6756 CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1,0,0,0,0,0,0,0 | |
| 6757 CCCC1CC(N(C)C1)C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O,0,0,0,0,0,0,0 | |
| 6758 Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2,0,0,0,0,0,,0 | |
| 6759 CC1=CC(=O)NO1,0,0,0,0,0,0,0 | |
| 6760 CC(C)CCOC(=O)CC(C)C,0,0,0,0,0,0,0 | |
| 6761 CN(C)C(=O)Oc1ccc[n+](C)c1,,0,1,0,0,0,1 | |
| 6762 CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O,0,,,0,1,,1 | |
| 6763 FC(OC(F)(F)F)C(F)(F)Oc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl,,,,,0,,0 | |
| 6764 CCCCc1ncc(C=C(Cc2cccs2)C(=O)O)n1Cc3ccc(cc3)C(=O)O,0,0,0,0,0,0,0 | |
| 6765 Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1,0,0,0,0,1,,1 | |
| 6766 CN1CCN(CC1)C2=Nc3ccccc3Sc4ccc(Cl)cc24,,,,0,,,0 | |
| 6767 OCCCCCCCCCCCCBr,,,1,0,,,1 | |
| 6768 CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,0,0,0,0,0,0,0 | |
| 6769 ClC(Cl)C(Cl)(Cl)Cl,0,,0,0,0,0,0 | |
| 6770 O=C1NCC2(CCN(CCc3ccccc3)CC2)O1,0,0,0,0,,0,0 | |
| 6771 CCCCCCCCC(=O)O,0,0,0,0,0,0,0 | |
| 6772 COC1=NN(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)C(=O)N1C,0,0,0,0,0,0,0 | |
| 6773 Oc1ccccc1S(=O)(=O)c2ccc(OCc3ccccc3)cc2,,1,,,,,1 | |
| 6774 CCCCN(CCCC)CCCC,0,0,0,0,0,0,0 | |
| 6775 Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-],1,0,,0,,0,1 | |
| 6776 CC1=CC(=O)CC(C)(C)C1,0,0,0,0,0,0,0 | |
| 6777 Nc1nc2ccccc2n1Cc3ccc(F)cc3,,1,,,,,1 | |
| 6778 C1C=CC=C1,0,0,0,0,0,0,0 | |
| 6779 OC(COC(=O)C=C)COc1ccccc1,,1,,,,1,1 | |
| 6780 COc1ccc(C=CC(=O)OCCC(C)C)cc1,,1,0,1,0,,1 | |
| 6781 Cc1cccc(O)c1C,0,0,0,0,0,0,0 | |
| 6782 CC(CCC(=O)O)C1CCC2C3C(CC(=O)C12C)C4(C)CCC(=O)CC4CC3=O,0,0,0,,,0,0 | |
| 6783 CCc1ccccc1N,0,0,0,0,0,0,0 | |
| 6784 O=C1C(=C1c2ccccc2)c3ccccc3,,1,1,,,1,1 | |
| 6785 Clc1ccc(C(Cn2ccnc2)OCc3c(Cl)cccc3Cl)c(Cl)c1,,,,1,,,1 | |
| 6786 Clc1cccc(c1)N2CCN(CCCN3N=C4C=CC=CN4C3=O)CC2,0,0,0,0,0,0,0 | |
| 6787 CCOc1ccc(cc1)C(C)(C)COCc2cccc(Oc3ccccc3)c2,0,0,0,0,0,0,0 | |
| 6788 [O-][N+](=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 6789 CC(=O)SCC(CC(=O)c1ccc(C)cc1)C(=O)O,0,0,0,0,0,0,0 | |
| 6790 CN1CCC23CCCCC2C1Cc4ccc(O)cc34,1,,0,0,0,,1 | |
| 6791 Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4,1,1,,1,,,1 | |
| 6792 CCCCCNCCCCC,0,0,0,0,0,0,0 | |
| 6793 Cc1cc(O)nc(S)n1,0,0,0,0,0,0,0 | |
| 6794 CCCCN(CCCC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1,1,,,0,,1,1 | |
| 6795 CCCCCCCCCCCCc1ccc(O)cc1,,1,,,,,1 | |
| 6796 CC1=CCC2CC1C2(C)C,0,0,0,0,0,0,0 | |
| 6797 OC(O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 6798 CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c2cncnc2,,,,0,1,0,1 | |
| 6799 CCC1(CCCCN(C)C1)c2cccc(O)c2,0,0,0,0,0,0,0 | |
| 6800 CC(=O)C(Cl)Cl,,0,0,0,0,0,0 | |
| 6801 OCC1(CO)COC(OC1)C(Cl)(Cl)Cl,0,,0,0,0,,0 | |
| 6802 OCC1(O)OCC(O)C(O)C1O,0,0,0,0,0,0,0 | |
| 6803 CCCCCCCCCCCCCCCC(O)C(N)CO,0,0,0,0,,0,0 | |
| 6804 Cc1ccc2ccccc2n1,0,0,0,0,0,0,0 | |
| 6805 COc1ccccc1OCC(O)COC(=O)N,0,0,0,0,0,0,0 | |
| 6806 C[S+](C)CCC(N)C(=O)O,0,,0,0,0,,0 | |
| 6807 CC1=NS(=O)(=O)c2cc(Cl)ccc2N1,0,0,0,0,0,0,0 | |
| 6808 COC(=O)c1cccc(c1)C(=O)OC,0,0,0,0,0,0,0 | |
| 6809 NC(=O)C1c2ccccc2CCc3ccccc13,0,,0,0,0,,0 | |
| 6810 CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC12C)C(=O)C,1,,1,0,1,,1 | |
| 6811 Cc1cc2CCN(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2cc1C(F)(F)F,,1,,,,,1 | |
| 6812 COc1ccccc1OC,0,0,0,0,0,0,0 | |
| 6813 COC1C(CC(=O)OC(C)CC2OC2C=CC(=O)C(C)CC(CC=O)C1OC3OC(C)C(OC4CC(C)(O)C(OC(=O)CC(C)C)C(C)O4)C(C3O)N(C)C)OC(=O)C,,,1,0,,,1 | |
| 6814 CC(C)CCON=O,0,0,0,0,0,0,0 | |
| 6815 CC(C)COC(=O)C=C,0,0,0,0,,0,0 | |
| 6816 COc1ccc(OC)cc1,0,0,0,0,0,0,0 | |
| 6817 Oc1c(Cl)cc(Cl)c2cccnc12,,1,1,,,,1 | |
| 6818 OC(=O)c1ccc(cc1)n2nc(nc2c3ccccc3O)c4ccccc4O,1,1,1,,,,1 | |
| 6819 CCCCCCCCCCCCC(=O)O,,,0,0,0,0,0 | |
| 6820 OCCN1CCNCC1,0,0,0,0,,0,0 | |
| 6821 CCN(CC)CCOc1ccc(cc1)C(O)(Cc2ccc(Cl)cc2)c3ccc(C)cc3,,1,,,,,1 | |
| 6822 CC(=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C)C,,0,0,0,0,0,0 | |
| 6823 COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl,0,0,0,0,0,,0 | |
| 6824 CCC(C)(C)c1ccc(CC(C)CN2CC(C)OC(C)C2)cc1,,1,,,,0,1 | |
| 6825 Cc1ccc(N)cc1,0,0,0,,0,0,0 | |
| 6826 O=C(CCNNC(=O)c1ccncc1)NCc2ccccc2,0,0,0,0,0,0,0 | |
| 6827 CCOC(=O)c1ccc(nc1)C#Cc2ccc3SCCC(C)(C)c3c2,0,1,,1,1,0,1 | |
| 6828 COC(OC)C=C(C)CCC=C(C)C,,0,,0,0,0,0 | |
| 6829 OC1C(O)C(O)(COP(=O)(O)O)OC1COP(=O)(O)O,0,,0,0,0,,0 | |
| 6830 [O-][N+](=O)OC1COC2C(COC12)O[N+](=O)[O-],,0,0,0,0,0,0 | |
| 6831 CCOc1ccc(O)cc1,0,,0,1,,,1 | |
| 6832 Clc1ccc(C(Cn2ccnc2)OCc3csc4c(Cl)cccc34)c(Cl)c1,,,,1,,,1 | |
| 6833 CC(N)C12CC3CC(CC(C3)C1)C2,,0,0,0,0,0,0 | |
| 6834 COC(=O)Cc1cccc2ccccc12,0,0,0,0,0,0,0 | |
| 6835 OC1COC(O)C(O)C1O,0,0,0,0,0,0,0 | |
| 6836 CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,1,1,,,,0,1 | |
| 6837 CC(C)(O)C(=O)c1ccc(OCCO)cc1,0,0,0,0,0,0,0 | |
| 6838 Nc1c(Cl)cc(Cl)cc1Cl,0,0,0,0,,0,0 | |
| 6839 CCOC(=O)CC(=O)CCl,1,1,,,,1,1 | |
| 6840 Nc1nc(cs1)C(=NOCC(=O)O)C(=O)NC2C3SCC(=C(N3C2=O)C(=O)O)C=C,0,,0,0,0,,0 | |
| 6841 OC(=O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 6842 Oc1ccc(Cc2ccccc2O)cc1,,1,0,0,,1,1 | |
| 6843 COC(OC)(C(=O)c1ccccc1)c2ccccc2,0,1,0,,0,0,1 | |
| 6844 OCCN1CCOCC1,0,,0,0,,0,0 | |
| 6845 CCC=O,0,,0,0,,0,0 | |
| 6846 CNCC(O)c1ccc(O)cc1,0,0,0,0,0,0,0 | |
| 6847 CC1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)C23,0,0,0,0,0,0,0 | |
| 6848 CN(C)CCCCl,0,0,0,0,,0,0 | |
| 6849 CCCCCCCCCCCCCCCCN,0,0,0,0,0,,0 | |
| 6850 CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc24)CC1,0,0,,0,0,0,0 | |
| 6851 COCC(O)CO,,0,0,0,0,0,0 | |
| 6852 ClCCBr,0,0,0,0,0,0,0 | |
| 6853 CC(C)(C)c1ccc(C=C)cc1,0,0,0,0,0,0,0 | |
| 6854 OCc1ccc(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 6855 OS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 6856 CC(C)CC=O,0,0,0,0,0,0,0 | |
| 6857 CSC(=O)c1c(CC(C)C)c(C(=O)SC)c(nc1C(F)F)C(F)(F)F,1,,,,,0,1 | |
| 6858 CC(=O)NO,0,0,0,0,0,0,0 | |
| 6859 Oc1c(I)cc(I)c2cccnc12,,1,1,0,1,,1 | |
| 6860 CCCCCCCC1CCC(=O)O1,0,0,,0,0,0,0 | |
| 6861 NC(=N)c1ccccc1,0,0,0,0,0,0,0 | |
| 6862 ClC(=O)c1cc(Cl)cc(Cl)c1,0,0,0,0,0,0,0 | |
| 6863 CC(N)C(O)c1ccc(O)c(O)c1,0,0,0,0,,0,0 | |
| 6864 OC(=O)CCC(=O)OCCOC(=O)C=C,,,1,,,1,1 | |
| 6865 Oc1ccc2CC3N(CC4CC4)CCC56C(Oc1c25)C(=O)CCC36O,0,0,0,0,0,0,0 | |
| 6866 Cc1ccc(cc1)C(=O)c2ccccc2,0,0,0,,0,0,0 | |
| 6867 CCOC(=S)SSC(=S)OCC,0,0,0,0,0,0,0 | |
| 6868 Cc1ccc(N=Nc2c(O)ccc(N=Nc3ccc(cc3)S(=O)(=O)O)c2O)c(C)c1,0,0,0,0,,0,0 | |
| 6869 CCN(Cc1cccc(c1)S(=O)(=O)O)c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)O)C=C3)c5ccccc5S(=O)(=O)O,,,0,,,0,0 | |
| 6870 NCCC(=O)NC(Cc1c[nH]cn1)C(=O)O,0,,0,0,0,,0 | |
| 6871 FC1(F)Oc2cccc(c2O1)c3c[nH]cc3C#N,1,1,,1,,1,1 | |
| 6872 NC(=O)N,0,0,0,0,0,0,0 | |
| 6873 C1CN=C(N1)C2CC2(c3ccccc3)c4ccccc4,,,0,0,0,,0 | |
| 6874 ClCCNC(=O)N(CCCl)N=O,0,0,0,0,0,0,0 | |
| 6875 CCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C,1,1,,,,1,1 | |
| 6876 CC(CCO)CCc1ccccc1,0,0,0,0,0,0,0 | |
| 6877 CC1CCc2c(N3CCC(O)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O,0,,0,0,0,0,0 | |
| 6878 CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 6879 COc1ccc2sc(C(=O)Nc3nn[nH]n3)c(OC(C)C)c2c1,,1,,1,,1,1 | |
| 6880 Cc1nc(O)c(cc1c2ccc3nccn3c2)C#N,0,0,0,0,,0,0 | |
| 6881 CN1CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O,0,0,0,0,,0,0 | |
| 6882 CCOc1cc(N)c(Cl)cc1C(=O)NCC2CN(Cc3ccc(F)cc3)CCO2,0,0,0,0,,1,1 | |
| 6883 CN(C)C(=O)CC(=O)C,0,0,0,0,0,0,0 | |
| 6884 CN(Cc1ccc(cc1)C(C)(C)C)Cc2cccc3ccccc23,0,0,0,0,,,0 | |
| 6885 Clc1cccc(c1)c2cc(Cl)cc(Cl)c2,0,,0,0,0,0,0 | |
| 6886 COc1ccc(Nc2ccccc2)c(C)c1,,0,0,0,0,0,0 | |
| 6887 CCCCCCCCc1ccc(O)cc1,,1,0,,,0,1 | |
| 6888 CCC(=O)OCCc1ccccc1,0,0,0,,0,0,0 | |
| 6889 CCCCCON=O,0,0,0,0,0,0,0 | |
| 6890 OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O,0,0,0,0,0,0,0 | |
| 6891 N#Cc1ccccc1C#N,0,0,0,,0,0,0 | |
| 6892 CC1OC1P(=O)(O)O,0,,0,0,0,,0 | |
| 6893 CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2,,0,0,,,0,0 | |
| 6894 Nc1nc(N)nc(Cl)n1,0,0,0,0,0,0,0 | |
| 6895 CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C#C,1,1,,,,,1 | |
| 6896 CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ncc(C)s3,0,0,0,0,0,0,0 | |
| 6897 CCCCC(C)C(=O)O,0,0,0,0,0,0,0 | |
| 6898 Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5ccccc45)c1I,,,0,,,0,0 | |
| 6899 CCN(CC)C(=O)c1ccc(cc1)C(N2CC(C)N(CC=C)CC2C)c3cccc(OC)c3,,0,0,0,,0,0 | |
| 6900 CC(C)(c1ccccc1)c2cc(c(O)c(c2)C(C)(C)c3ccccc3)n4nc5ccccc5n4,0,0,0,0,0,0,0 | |
| 6901 COC(=O)CC(O)(CCCC(C)(C)O)C(=O)OC1C2c3cc4OCOc4cc3CCN5CCCC25C=C1OC,1,1,1,1,,,1 | |
| 6902 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,,1,0,0,,0,1 | |
| 6903 CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,0,,0,,,,0 | |
| 6904 CCCCCCCCc1ccc(cc1)S(=O)(=O)O,0,1,0,0,,1,1 | |
| 6905 Clc1ccccc1Cl,0,0,0,0,0,0,0 | |
| 6906 CCC(=O)OC1C(CC2C3CCC4CC(OC(=O)C)C(CC4(C)C3CCC12C)N5CCCCC5)[N+]6(CC=C)CCCCC6,0,0,0,0,0,0,0 | |
| 6907 CCN(CC)c1cc2OC3=CC(=[N+](CC)CC)C(=CC3=C(c2cc1C)c4ccc(cc4S(=O)(=O)O)S(=O)(=O)O)C,,,0,,,0,0 | |
| 6908 CN(C)CCC(c1ccccc1)c2ccccn2,0,0,0,0,0,0,0 | |
| 6909 [O-][N+](=O)c1oc(C=NN2CCOC2=O)cc1,1,1,0,,,,1 | |
| 6910 O=C1CCC(=O)O1,0,0,0,0,0,0,0 | |
| 6911 Cc1c(Cl)cccc1Cl,0,0,0,0,0,0,0 | |
| 6912 CC(C)C(=O)O,0,0,0,0,,0,0 | |
| 6913 CCN1C(=CC=Cc2sc3ccccc3[n+]2CC)Sc4ccccc14,1,1,,,,,1 | |
| 6914 Clc1ccc2nsnc2c1NC3=NCCN3,0,0,,0,,0,0 | |
| 6915 ClCCCCBr,0,0,0,0,0,0,0 | |
| 6916 CCCCCCCCCCCCCCCCCCCl,0,0,0,0,0,0,0 | |
| 6917 ClP(=O)(Cl)Cl,0,0,0,0,0,0,0 | |
| 6918 CC(C)(CO)COC(=O)C(C)(C)CO,0,0,0,0,0,0,0 | |
| 6919 OC(=O)c1ccc(O)cc1,0,0,0,0,0,0,0 | |
| 6920 CC(Cl)CCl,0,0,0,0,0,0,0 | |
| 6921 OC(=O)c1cccc(c1)c2noc(n2)c3ccccc3F,1,1,0,1,1,,1 | |
| 6922 CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO,0,,0,0,0,,0 | |
| 6923 CC(C#C)N(C)C(=O)Nc1ccc(Cl)cc1,,,0,1,0,0,1 | |
| 6924 CCC(O)OC(O)CC,0,0,0,0,0,0,0 | |
| 6925 CCC(Oc1ccccc1)C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O,,,,0,0,,0 | |
| 6926 OCC(COC(=O)CCN1CC1)(COC(=O)CCN2CC2)COC(=O)CCN3CC3,0,0,0,0,0,0,0 | |
| 6927 Brc1ccc(Br)cc1,0,0,0,0,0,0,0 | |
| 6928 Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1,0,0,0,0,,0,0 | |
| 6929 NC1(CCCCC1)C#N,0,,0,0,0,0,0 | |
| 6930 Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3,0,0,0,0,0,0,0 | |
| 6931 NC(=O)c1ncn(n1)C2OC(CO)C(O)C2O,0,1,1,1,,1,1 | |
| 6932 Cc1ccc(C)c(c1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 6933 c1ccc(cc1)c2nc3ccccc3[nH]2,,1,,,,,1 | |
| 6934 CCCCC(CC)COC(=O)c1ccccc1C(=O)O,,,,0,,1,1 | |
| 6935 C1OCOCO1,0,,0,,,0,0 | |
| 6936 S=C=Nc1cccc2ccccc12,1,,,,0,,1 | |
| 6937 CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C,1,,0,0,0,,1 | |
| 6938 CCC(C)(C)C1CCC(CC1)OC,0,0,0,,0,,0 | |
| 6939 CCCCCCCCC=C,0,0,0,0,0,0,0 | |
| 6940 CN(C)C1C2CC3C(=C(O)C2(O)C(=C(C(=O)N)C1=O)O)C(=O)c4c(O)ccc(Cl)c4C3(C)O,,,0,,0,,0 | |
| 6941 CCCCCCCC(=O)OCCCCCC,0,0,0,0,,0,0 | |
| 6942 CN(C)C(C)(C)CO,0,0,0,0,0,0,0 | |
| 6943 CCOC(=O)C1=CC2(CC)CCCN3CCc4c(C23)n1c5ccccc45,,0,0,0,,0,0 | |
| 6944 [O-][N+](=O)c1ccc(Cl)c(Cl)c1Cl,0,,,,0,0,0 | |
| 6945 NCC(O)c1ccc(O)cc1,0,0,0,0,0,0,0 | |
| 6946 CS(=O)(=O)c1cc(ccc1C(=O)c2cnoc2C3CC3)C(F)(F)F,0,0,0,0,0,,0 | |
| 6947 COC(=O)CCC(=O)OC,0,0,0,0,0,0,0 | |
| 6948 CC1CCC(=O)O1,0,0,0,0,0,0,0 | |
| 6949 Cc1ncc(COP(=O)(O)O)c(C=O)c1O,0,0,0,0,0,0,0 | |
| 6950 CC(C)CC(N(C)C)C1(CCC1)c2ccc(Cl)cc2,0,0,0,0,,0,0 | |
| 6951 CCCCCCOC(=O)C,0,0,0,0,0,0,0 | |
| 6952 ClCC(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl,1,1,1,1,,0,1 | |
| 6953 CC(CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2,,,0,,,0,0 | |
| 6954 COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(=O)O,0,0,0,0,0,,0 | |
| 6955 Clc1ccc(NS(=O)(=O)c2ccc(Cl)s2)c(c1)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4,0,,,0,,1,1 | |
| 6956 O=S1(=O)CCCO1,0,0,0,0,0,0,0 | |
| 6957 CSc1ccc(C=C2C(=C(CC(=O)O)c3cc(F)ccc23)C)cc1,,,,0,1,1,1 | |
| 6958 NCCCCC(NC(=O)C1CCCN1C(=O)C2CSSCC(N)C(=O)NC(Cc3ccccc3)C(=O)NC(Cc4ccccc4)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)N2)C(=O)NCC(=O)N,0,,0,0,0,,0 | |
| 6959 COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1,1,1,1,0,0,,1 | |
| 6960 CC1=C(C)C(=O)C(=C(C)C1=O)C(CCCCCC(=O)O)c2ccccc2,0,0,0,0,0,0,0 | |
| 6961 CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C)C(=O)C,1,,1,1,1,0,1 | |
| 6962 CC(C)(O)C(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 6963 CC(C)OC(=S)S,,,0,,1,,1 | |
| 6964 COC1CC(OC2C(C)C=CC=C3COC4C(=NO)C(=CC(C(=O)OC5CC(CC=C2C)OC6(CCC(C)C(O6)C7CCCCC7)C5)C34O)C)OC(C)C1O,0,,0,0,,,0 | |
| 6965 Cc1ccc(cc1Cl)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 6966 CC(C)C1NC(=O)C(NC(=O)C2=C(N)C(=O)C(=C3Oc4c(C)ccc(C(=O)NC5C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C6CCCN6C(=O)C(NC5=O)C(C)C)c4N=C23)C)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C7CCCN7C1=O,1,1,,1,,1,1 | |
| 6967 CC(CNC1CCCCC1)OC(=O)c2ccccc2,0,0,0,0,0,0,0 | |
| 6968 OC1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C#N)CC1,,,0,0,,,0 | |
| 6969 CCNCC,0,0,0,0,0,0,0 | |
| 6970 CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C,0,,0,0,0,,0 | |
| 6971 NC1=NC(=O)N(CC(CO)OCP(=O)(O)O)C=C1,0,1,0,0,0,,1 | |
| 6972 CC(=O)c1ccc(C)cc1,0,0,0,0,0,0,0 | |
| 6973 OC(=O)c1c(Cl)ccc2cc(Cl)cnc12,0,0,0,0,0,0,0 | |
| 6974 CNC(=O)CSP(=O)(OC)OC,0,0,0,0,0,0,0 | |
| 6975 CN1C(C)(C)CCCC1(C)C,0,0,0,0,0,0,0 | |
| 6976 CC(C)c1ccc(CO)cc1,0,,0,0,0,0,0 | |
| 6977 CN(C)C1C2CC3Cc4c(ccc(O)c4C(=C3C(=O)C2(O)C(=C(C(=O)N)C1=O)O)O)N(C)C,0,0,0,0,0,0,0 | |
| 6978 CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C,0,0,0,0,0,0,0 | |
| 6979 CN1CCC(=C2c3ccccc3CC(=O)c4sccc24)CC1,0,0,0,0,,0,0 | |
| 6980 CC1CCC2C(C)(C)C3CC12CCC3(C)O,0,,0,0,,0,0 | |
| 6981 Cc1ccccc1N=Nc2ccc(N)c(C)c2,1,1,1,,,1,1 | |
| 6982 CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2,,1,1,0,,1,1 | |
| 6983 CCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O,0,0,0,0,0,0,0 | |
| 6984 COC(=C1C(C(=C(C)N=C1C)C(=O)OCCCN2CCC(CC2)(c3ccccc3)c4ccccc4)c5cccc(c5)[N+](=O)[O-])O,,1,,,,1,1 | |
| 6985 CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccc(C)cc1,,1,1,1,,1,1 | |
| 6986 OC1(O)C(=O)c2ccccc2C1=O,,,0,,,,0 | |
| 6987 CCCCCCCN,0,0,0,0,0,0,0 | |
| 6988 CCC(=O)OC1(CCN(C)CC1)c2ccccc2,,0,0,0,,0,0 | |
| 6989 CCCCCc1cc(O)c2C3C=C(C)CCC3C(C)(C)Oc2c1,,,,1,,,1 | |
| 6990 C1CCOC1,0,0,,,0,,0 | |
| 6991 CN(C)C(=S)S,,1,,1,1,,1 | |
| 6992 CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1,,1,1,1,,,1 | |
| 6993 CC(C)NCC(O)COc1ccccc1OCC=C,0,0,,0,0,0,0 | |
| 6994 CCCCC(CC)CN,,0,0,0,0,0,0 | |
| 6995 COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1,0,0,0,0,0,0,0 | |
| 6996 CC(=Cc1ccccc1)C=O,,,,,0,0,0 | |
| 6997 Brc1cc(Oc2cc(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br,0,0,0,0,,0,0 | |
| 6998 FC(F)(F)c1ccccc1,0,0,0,0,0,0,0 | |
| 6999 CCCCC(CC)CO,0,0,0,0,0,0,0 | |
| 7000 CCNCC(O)c1cccc(O)c1,0,,0,0,0,,0 | |
| 7001 Cc1cc(ccc1O)C(C)(C)c2ccc(O)c(C)c2,,1,1,,1,,1 | |
| 7002 N(c1ccccc1)c2cccc3ccccc23,1,1,0,,,0,1 | |
| 7003 CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,0,0,0,,1,0,1 | |
| 7004 COC(=O)C=C(C)OP(=O)(OC)OC,1,,,1,0,1,1 | |
| 7005 OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12,1,1,,,,,1 | |
| 7006 O=C1OCCO1,0,0,0,0,,0,0 | |
| 7007 COC1(NC(=O)C2SC(=C(C(=O)N)C(=O)O)S2)C3SCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C,,,0,0,0,,0 | |
| 7008 CC1CN(CC(C)N1)c2c(F)c(N)c3C(=O)C(=CN(C4CC4)c3c2F)C(=O)O,0,0,,0,0,0,0 | |
| 7009 CCOP(=O)(OCC)SCCSCC,0,0,0,0,0,0,0 | |
| 7010 CCCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)C(=O)COC(=O)CC,1,1,1,1,0,,1 | |
| 7011 CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C,0,0,0,0,0,0,0 | |
| 7012 CC(c1ccccc1)(c2ccc(O)cc2)c3ccc(O)cc3,,1,,,,,1 | |
| 7013 CC(C)Nc1ccc(Nc2ccccc2)cc1,,1,,,,,1 | |
| 7014 CN(C)c1ccc(C=O)cc1,0,0,0,0,0,0,0 | |
| 7015 Cc1cccc(Nc2ccccc2)c1,,0,0,1,,0,1 | |
| 7016 CC(=O)OCc1ccccc1,0,0,0,0,0,0,0 | |
| 7017 CCCc1ccc(OCC(=O)N2CCN(CC2)C(=O)COc3ccc(CCC)cc3OC)c(OC)c1,,1,,,,,1 | |
| 7018 [O-][N+](=O)c1ccc(NC(=O)NCc2cccnc2)cc1,,0,0,0,,0,0 | |
| 7019 N(c1ccccc1)c2ccc(Nc3ccccc3)cc2,,1,,1,,1,1 | |
| 7020 COP(=O)(OC)OC(c1ccc(Cl)cc1)P(=O)(OC)OC,0,0,0,0,0,0,0 | |
| 7021 CCOCCOCC,0,0,0,0,0,0,0 | |
| 7022 c1c[nH]cn1,0,0,0,0,0,0,0 | |
| 7023 CNC1(C)C2CCC(C2)C1(C)C,0,0,0,0,0,0,0 | |
| 7024 CN1C2CCC1CC(C2)OC(c3ccccc3)c4ccccc4,0,,0,0,,,0 | |
| 7025 Oc1c(Br)cc(cc1Br)C2(OS(=O)(=O)c3ccccc23)c4cc(Br)c(O)c(Br)c4,,,0,,,,0 | |
| 7026 Oc1c(Cl)c(Cl)cc(Cl)c1Cl,,1,,1,,1,1 | |
| 7027 CCOCCOCCOC(=O)C,0,0,0,0,0,0,0 | |
| 7028 CC1OC(C)OC(C)O1,0,0,0,0,0,0,0 | |
| 7029 Nc1nc(O)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)cnc2n1,0,0,0,0,0,0,0 | |
| 7030 CCN(CC)CCOc1ccc2c(c1)C(=O)c3cc(OCCN(CC)CC)ccc23,,1,1,1,,0,1 | |
| 7031 CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2,1,1,,1,,0,1 | |
| 7032 NC(=O)N(O)C1CC(Oc2cccc(Oc3ccc(F)cc3)c2)C=C1,1,1,1,,,,1 | |
| 7033 COC(C)(C)CCO,0,0,0,0,0,0,0 | |
| 7034 CC1(C)C2CCC1(C)C(C2)OC(=O)CSC#N,,,0,0,0,,0 | |
| 7035 O=C1C=CC(=O)C=C1,0,0,0,0,0,0,0 | |
| 7036 CSCCC=O,0,0,0,0,0,0,0 | |
| 7037 COCCOCC(CC1(CCCC1)C(=O)NC2CCC(CC2)C(=O)O)C(=O)Oc3ccc4CCCc4c3,0,0,0,0,0,0,0 | |
| 7038 COc1ccc2CC3N(C)CCc4cc(OC)c(Oc5c6OCOc6cc7CCN(C)C(Cc8ccc(Oc1c2)cc8)c57)cc34,,,0,0,,,0 | |
| 7039 OC(C=CC1C(O)CC2OC(=Cc3cccc(c3)C(=O)O)CC12)C4CCCCC4,,,0,0,0,1,1 | |
| 7040 NC(=O)c1ccc(cc1Cl)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 7041 CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13,,1,1,1,1,0,1 | |
| 7042 Cc1cc(Cc2ccc(N)c(C)c2)ccc1N,,0,0,0,0,,0 | |
| 7043 FC(F)C(F)(F)OCC(Cn1cncn1)c2ccc(Cl)cc2Cl,,1,1,1,,,1 | |
| 7044 CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc2ccccc2,,0,,0,,,0 | |
| 7045 CCNc1nc(NC(C)(C)C)nc(SC)n1,,,0,0,1,,1 | |
| 7046 CCN(CCO)c1cccc(C)c1,0,,0,0,0,0,0 | |
| 7047 NCc1ccccc1Sc2ccccc2CO,0,0,0,0,0,0,0 | |
| 7048 CC(C)(C)NCC(O)COc1ccccc1C2CCCC2,0,,0,0,,,0 | |
| 7049 COc1ccc(CCC(=O)C)cc1,0,0,0,0,0,0,0 | |
| 7050 Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1,,0,,0,0,,0 | |
| 7051 CCCCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCC[N+](C)(CC)CC,,,,0,,,0 | |
| 7052 CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2,0,0,,0,1,,1 | |
| 7053 CC1=Nc2ccc3ccccc3c2C1(C)C,,1,,,0,0,1 | |
| 7054 CN(CC(CC[N+]12CCC(CC1)(CC2)C3CCCCC3)c4ccc(Cl)c(Cl)c4)C(=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F,,,,,,0,0 | |
| 7055 CS(=O)(=O)c1ccc(cc1)c2cn3ccccc3n2,,1,,,,,1 | |
| 7056 CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,0,,1,0,,,1 | |
| 7057 Cc1cccc(C(=O)O)c1O,0,0,0,0,0,,0 | |
| 7058 CC(C)(C)N1N=CC(=C(Cl)C1=O)SCc2ccc(cc2)C(C)(C)C,1,1,,1,1,1,1 | |
| 7059 Cc1cc(O)c(Cl)c(C)c1Cl,,,0,,,,0 | |
| 7060 CCCCOc1ccc(N)cc1,,1,0,0,0,0,1 | |
| 7061 OC1=C(C2CCCc3ccccc23)C(=O)Oc4ccccc14,1,0,0,0,,1,1 | |
| 7062 CC(C)NCC1CCc2cc(CO)c(cc2N1)[N+](=O)[O-],0,,0,0,0,,0 | |
| 7063 ONc1ccc(cc1)N=O,1,1,0,,,0,1 | |
| 7064 CC(C)C(=O)OC(=O)C(C)C,0,,0,0,0,0,0 | |
| 7065 CCc1cccc(CC)c1N,0,0,0,0,0,0,0 | |
| 7066 NC(=O)NC(=O)Cc1ccccc1,0,0,0,0,0,0,0 | |
| 7067 CC#Cc1cc(C)nc(Nc2ccccc2)n1,1,1,,1,,0,1 | |
| 7068 FC(F)(F)C(=NOCC1OCCO1)c2ccc(Cl)cc2,0,0,0,0,0,0,0 | |
| 7069 O=C1NC(=O)c2c[nH]nc2N1,0,0,0,0,0,0,0 | |
| 7070 CCC(C)COC(=O)C,0,0,0,0,0,0,0 | |
| 7071 CC(=O)NCC1CN(C(=O)O1)c2ccc(N3CCOCC3)c(F)c2,0,,0,0,0,,0 | |
| 7072 ClC=C(Cl)Cl,0,0,0,0,0,0,0 | |
| 7073 CCCC[n+]1ccccc1,0,0,0,0,0,0,0 | |
| 7074 COc1cccc(OC)c1C(=O)O,,0,0,0,0,0,0 | |
| 7075 CC(C)c1cccc(C(C)C)c1N2C(=O)c3ccc(O)cc3C2=O,1,1,,1,1,1,1 | |
| 7076 CCN(CC)c1ccc2C(=C3C=CC(=[N+](CC)CC)C=C3Oc2c1)c4ccccc4C(=O)O,,,1,,,,1 | |
| 7077 Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2,1,1,,,,1,1 | |
| 7078 CC(CCC=C(C)C)C=C,0,0,0,0,0,0,0 | |
| 7079 ClC(Cl)c1ccccc1,0,0,0,0,0,0,0 | |
| 7080 ClC(Cl)(Cl)Cl,0,0,0,0,0,0,0 | |
| 7081 NCC1CCC(CC1)C(=O)Oc2ccc(CCC(=O)O)cc2,,1,0,1,0,0,1 | |
| 7082 Clc1cccc(Cl)c1C#N,0,0,0,0,0,0,0 | |
| 7083 COC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 7084 ClC1=C(Cl)C(=O)C(=C(Cl)C1=O)Cl,1,1,,,,,1 | |
| 7085 CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,0,,0,0,0,0,0 | |
| 7086 c1cc(ccn1)c2ccncc2,0,,0,0,0,0,0 | |
| 7087 CC(=C)C(=O)OCCOCCOCCOCCOC(=O)C(=C)C,,0,0,0,0,0,0 | |
| 7088 CC1=C(CCN2CCC(CC2)C(=O)c3ccc(F)cc3)C(=O)N4C=CC=CC4=N1,0,1,0,0,,0,1 | |
| 7089 Cc1ccccc1N=O,0,0,0,0,0,0,0 | |
| 7090 CCCCCC(C)N,0,0,0,0,0,0,0 | |
| 7091 CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N,0,0,0,0,0,0,0 | |
| 7092 CC1(C)CC(=O)CC(C)(C)N1,0,,0,0,0,0,0 | |
| 7093 COc1cc(cc(OC)c1OP(=O)(O)O)C2C3C(COC3=O)C(OC4OC5COC(C)OC5C(O)C4O)c6cc7OCOc7cc26,,,,0,,,0 | |
| 7094 OC(=O)COc1nn(Cc2ccccc2)c3ccccc13,,0,0,0,0,0,0 | |
| 7095 Cc1occc1C(=O)Nc2ccc(cc2)C(=O)N3CCC(F)(F)C(=CC(=O)N4CCC(CC4)N5CCCCC5)c6ccccc36,,,0,0,,0,0 | |
| 7096 OCCc1ccc(Nc2ccc(O)c3C(=O)c4c(O)ccc(c4C(=O)c23)[N+](=O)[O-])cc1,,,,,,1,1 | |
| 7097 O=C=NCCCCCCN=C=O,0,0,0,0,0,0,0 | |
| 7098 CC(=O)Oc1cccc(C(=O)O)c1OC(=O)C,0,,0,0,0,,0 | |
| 7099 NC(=O)c1n[nH]c(n1)c2cccc(c2)c3cc(F)ccc3OCC(F)(F)C(F)(F)F,,1,,,,,1 | |
| 7100 NC(=O)NN=Cc1oc(cc1)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 7101 Cc1cc(N)c(cc1Cl)S(=O)(=O)O,0,,0,0,0,0,0 | |
| 7102 ClC1=C(Cl)C2(Cl)C3COS(=O)OCC3C1(Cl)C2(Cl)Cl,1,1,0,,,0,1 | |
| 7103 CCCSSCCC,0,0,0,0,0,0,0 | |
| 7104 CCCC(=O)OC,0,0,,0,0,0,0 | |
| 7105 CC1(CCCCC1)C(=O)Nc2ccc(O)c(Cl)c2Cl,1,1,1,0,,0,1 | |
| 7106 CC(C)(C)C(=O)NCCCC(=O)O,0,0,,0,,0,0 | |
| 7107 CC(C)CCCCCOC(=O)C=C,0,0,0,0,0,0,0 | |
| 7108 CC(=C)C(=O)OCCCCOC(=O)C(=C)C,0,0,0,,0,0,0 | |
| 7109 ClC(=O)c1ccccc1,0,0,0,0,0,0,0 | |
| 7110 CC(C)C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN2CCOC2C(C)C,0,0,0,0,0,0,0 | |
| 7111 O=C(Nc1ccccc1SSc2ccccc2NC(=O)c3ccccc3)c4ccccc4,,1,,,,1,1 | |
| 7112 CC12CCC3C(CCc4cc(OS(=O)(=O)O)ccc34)C1CCC2=O,0,1,,0,0,,1 | |
| 7113 Cc1cc(C)c(NC(=O)CN(CC(=O)O)CC(=O)O)c(C)c1Br,0,0,0,0,0,0,0 | |
| 7114 OC(Cc1cnc2ccccn12)(P(=O)(O)O)P(=O)(O)O,0,,0,0,0,,0 | |
| 7115 CCCN1CC(CSC)CC2C1Cc3c[nH]c4cccc2c34,0,1,0,0,,0,1 | |
| 7116 OC(=O)CCCc1c[nH]c2ccccc12,,0,0,0,0,0,0 | |
| 7117 CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3=CCC12C,1,,1,0,,,1 | |
| 7118 Cc1c(O)cccc1O,0,,0,0,0,0,0 | |
| 7119 COc1cc(ccc1N=C=O)c2ccc(N=C=O)c(OC)c2,0,0,0,0,0,0,0 | |
| 7120 Nc1cc(Cl)c(O)c(Cl)c1,,,0,,,1,1 | |
| 7121 CCC(C)C1CCCCC1=O,0,0,0,0,0,0,0 | |
| 7122 [O-][N+](=O)C1(Br)COCOC1,,1,1,,,,1 | |
| 7123 CCCCCCCCCCCC#N,0,0,0,0,0,0,0 | |
| 7124 Oc1ccc(c2cccnc12)S(=O)(=O)O,0,0,0,0,0,0,0 | |
| 7125 COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl,,,0,0,,1,1 | |
| 7126 CCCC1(CCC1)C(O)CC=CC2C(O)CC(=O)C2CCCCCCC(=O)OC,,1,,,,,1 | |
| 7127 CC(C)CN(CC(O)C(Cc1ccccc1)NC(=O)OC2CCOC2)S(=O)(=O)c3ccc(N)cc3,,,0,0,0,,0 | |
| 7128 OCC1OC(OCCc2ccc(O)cc2)C(O)C(O)C1O,0,0,0,0,0,,0 | |
| 7129 OP(=O)(O)C(Cl)(Cl)P(=O)(O)O,0,,0,0,0,,0 | |
| 7130 Cc1cccc(N)n1,0,0,0,0,0,0,0 | |
| 7131 CC(CN1CCCCC1)C(=O)c2ccc(C)cc2,0,0,0,0,0,0,0 | |
| 7132 Clc1cc(Cl)c(Cl)c(Cl)c1Cl,0,0,0,0,0,0,0 | |
| 7133 CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13,,1,0,,,1,1 | |
| 7134 NCc1cccc(CN)c1,0,0,0,0,0,0,0 | |
| 7135 CCC(C)(O)CCC=C(C)C,0,0,0,0,0,0,0 | |
| 7136 [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1,0,0,0,0,0,0,0 | |
| 7137 Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1,0,,0,0,0,,0 | |
| 7138 NNC(=O)CC#N,0,0,0,0,0,0,0 | |
| 7139 ClN1C(=O)NC(=O)N(Cl)C1=O,0,0,0,0,0,0,0 | |
| 7140 CC(O)COCC(C)O,0,0,0,0,0,0,0 | |
| 7141 CC(=O)c1ccc2c(Cc3ccccc23)c1,,1,1,1,0,0,1 | |
| 7142 CC(C(=O)O)c1ccc2Sc3ccccc3C(=O)Cc2c1,0,0,0,0,,1,1 | |
| 7143 CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC,0,,,0,0,,0 | |
| 7144 CC1COc2c3N1C=C(C(=O)O)C(=O)c3cc(F)c2C4(N)CC4,0,0,0,0,0,0,0 | |
| 7145 CC(=O)C1CCOC1=O,0,0,0,0,0,0,0 | |
| 7146 C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,0,0,0,0,,0,0 | |
| 7147 COc1ccc(CN2CCNCC2)c(OC)c1OC,0,0,0,0,0,0,0 | |
| 7148 CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C,0,,0,0,0,0,0 | |
| 7149 CC(C)OCC1CO1,0,0,0,0,0,0,0 | |
| 7150 CC(O)(P(=O)(O)O)P(=O)(O)O,0,0,0,0,0,0,0 | |
| 7151 Oc1ccc(cc1S(=O)(=O)O)C2(OC(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(c4)S(=O)(=O)O,,0,0,0,0,0,0 | |
| 7152 [O-][N+](=O)c1ccc2c(Cc3ccccc23)c1,0,0,,1,0,0,1 | |
| 7153 CC(=CCCC(=CC(=O)O)C)C,0,0,0,0,0,0,0 | |
| 7154 Cc1cc(C)c(NC(=O)CC(CC(=O)O)c2cccc3ccccc23)c(c1)C(=O)N4CCC5(CCCC5)CC4,0,,1,0,0,,1 | |
| 7155 N#Cc1ccccc1,0,0,0,0,0,0,0 | |
| 7156 COC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(Cc2ccc(cc2)c3ccccn3)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C,1,,0,0,1,,1 | |
| 7157 OCC(O)C(O)C(O)C(O)CO,0,0,0,0,0,0,0 | |
| 7158 Oc1ccccc1C(=O)Nc2ccccc2,1,,0,1,1,,1 | |
| 7159 CCCCCOC(=O)c1ccc(O)cc1,1,1,0,,,,1 | |
| 7160 CCC1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(cccc5nc34)[N+](=O)[O-])C2=O,1,1,1,,1,,1 | |
| 7161 CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1,0,,0,0,0,0,0 | |
| 7162 OC(=O)c1c(I)cc(I)c(NC(=O)COCCOCCOCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I,0,0,0,0,0,0,0 | |
| 7163 CC=C(C(=CC)c1ccc(O)cc1)c2ccc(O)cc2,1,1,1,0,,,1 | |
| 7164 CC(=O)c1nccs1,0,0,0,0,0,0,0 | |
| 7165 CCCCCCCC=CC=O,,,,0,0,1,1 | |
| 7166 CCS(=O)(=O)C(C)(C)S(=O)(=O)CC,,0,0,0,0,0,0 | |
| 7167 COC(=O)C1CCC(CC1)C(=O)OC,0,0,0,0,0,0,0 | |
| 7168 CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C,0,0,0,0,0,0,0 | |
| 7169 CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC,0,,0,0,0,,0 | |
| 7170 CC(C)C1CCC(CC1)C(=O)NC(Cc2ccccc2)C(=O)O,,0,,1,0,,1 | |
| 7171 CCN=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c3ccc(cc3)N(CC)CC)c4ccccc14,,1,,1,,,1 | |
| 7172 COc1ccc(CN2CCN(CC2)C(c3ccc(F)cc3)c4ccc(F)cc4)c(OC)c1OC,,,1,0,,,1 | |
| 7173 CCCCOC(=O)C=C,,0,0,0,0,0,0 | |
| 7174 CN(Cc1ccc(Cl)nc1)C(=NC#N)C,0,0,0,0,0,0,0 | |
| 7175 CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1,,1,0,1,1,0,1 | |
| 7176 CC(C)OC(=O)Nc1ccc2[nH]c(nc2c1)c3cscn3,1,1,1,1,,,1 | |
| 7177 CC(C)(Cl)[N+](=O)[O-],0,0,0,0,0,0,0 | |
| 7178 C1CC(C2=NCCN2)c3ccccc3C1,0,0,0,0,0,0,0 | |
| 7179 COP(=S)(N)Oc1ccccc1C(=O)OC(C)C,0,0,0,0,0,0,0 | |
| 7180 CC(CN(C)C)CN1c2ccccc2CCc3ccccc13,0,0,0,0,,1,1 | |
| 7181 CC(C)C(=O)OCCOc1ccccc1,0,0,0,0,0,0,0 | |
| 7182 OC(=O)CCCCCCCCC(=O)O,0,,0,0,0,0,0 | |
| 7183 BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br,,0,,,,0,0 | |
| 7184 CC(C)(C#N)C(C)(C)C#N,0,0,,0,0,0,0 | |
| 7185 [O-][N+](=O)c1ccc(Cl)cc1Cl,0,0,0,0,0,0,0 | |
| 7186 CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1,1,1,,,,1,1 | |
| 7187 CC(CN)CC(C)(C)CCN,0,0,0,0,0,0,0 | |
| 7188 [O-][N+](=O)c1oc(C=NN2CC(=O)NC2=O)cc1,1,1,0,,0,1,1 | |
| 7189 Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1c3ccccc3,,,,0,,,0 | |
| 7190 OC1(CCCCC1)C(=O)c2ccccc2,0,0,,0,0,0,0 | |
| 7191 Oc1c(Br)c2ccccc2nc1C3C(=O)c4ccccc4C3=O,0,,0,0,0,0,0 | |
| 7192 CCOC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,,1,1,,,,1 | |
| 7193 CCCCCC#CC(=O)OC,0,0,0,0,0,0,0 | |
| 7194 CC(=C)C(=O)OCC1CO1,0,0,0,0,0,0,0 | |
| 7195 NCCCN1CCN(CCCN)CC1,,0,0,0,0,0,0 | |
| 7196 N#CCCNCCC#N,0,0,0,0,0,0,0 | |
| 7197 CCC1C2CC3C4N(C)c5ccccc5C46CC(C2C6O)N3C1O,0,,0,0,0,,0 | |
| 7198 Cc1ccccc1OP(=O)(Oc2ccccc2C)Oc3ccccc3C,,,,1,,,1 | |
| 7199 O=C(C1CCCCC1)N2CC3N(CCc4ccccc34)C(=O)C2,0,0,0,0,0,0,0 | |
| 7200 OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F,,,1,0,1,1,1 | |
| 7201 Cc1cc(O)cc(C)c1Cl,0,0,0,0,0,0,0 | |
| 7202 CCOc1nc2cccc(C(=O)O)c2n1Cc3ccc(cc3)c4ccccc4c5nn[nH]n5,0,1,,0,,,1 | |
| 7203 CC(C)OC(=O)C(O)(CC(=O)O)CC(=O)O,0,0,0,0,,0,0 | |
| 7204 COc1ccc(NC(=O)C)cc1,0,0,0,0,0,0,0 | |
| 7205 CC(C)NCC(O)COc1cccc2[nH]ccc12,0,0,0,0,0,0,0 | |
| 7206 Cc1ccc(O)c(C)c1,0,0,0,0,0,0,0 | |
| 7207 CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC,,1,,1,1,0,1 | |
| 7208 CCCCCC(O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)O,1,1,1,0,0,,1 | |
| 7209 CCOC(=O)N(C)N=O,0,0,0,0,0,0,0 | |
| 7210 CN(C)C(=S)SC(=S)N(C)C,1,1,1,,,,1 | |
| 7211 CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,1,0,,0,0,0,1 | |
| 7212 ON1CC(=O)N=C2C=CC(=CC2=C1c3ccccc3)Cl,0,,0,0,0,,0 | |
| 7213 CC(C)c1cccc(C(C)C)c1N,0,0,0,0,0,0,0 | |
| 7214 CCOS(=O)(=O)C,0,0,0,0,0,0,0 | |
| 7215 CCCC(=O)N1CCCN(CC1)c2nc(N)c3cc(OC)c(OC)cc3n2,0,,0,0,0,,0 | |
| 7216 NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,0,0,,1,1,1,1 | |
| 7217 CCCCNCC(O)c1ccc(O)cc1,0,,0,0,0,,0 | |
| 7218 CC(C)CC(=O)C,0,,0,0,0,0,0 | |
| 7219 CCNCC(=C)C,0,0,0,0,0,0,0 | |
| 7220 CC1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O,1,1,,,,,1 | |
| 7221 CCCOC(=O)CC,0,0,0,0,0,0,0 | |
| 7222 Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c3cc(I)cc(I)c3O,0,1,,,,,1 | |
| 7223 CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C,0,0,0,0,0,0,0 | |
| 7224 CC(C)(S)C(N)C(=O)O,0,,0,0,0,,0 | |
| 7225 Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2,,1,0,0,0,0,1 | |
| 7226 O=NN1CCCCCCC1,0,0,0,0,0,0,0 | |
| 7227 Cc1ccccc1OCC(=O)O,0,0,0,0,0,0,0 | |
| 7228 NC(=N)NC#N,0,0,0,0,0,0,0 | |
| 7229 c1ccccc1,0,0,0,0,0,0,0 | |
| 7230 CCNCCO,0,0,0,0,0,,0 | |
| 7231 CCC[N+]1(C)CCCCC1,0,0,0,0,0,0,0 | |
| 7232 CCCCCCc1ccc(O)cc1O,1,,,0,,1,1 | |
| 7233 [O-][N+](=O)c1nccn1CC(=O)NCc2ccccc2,0,0,0,0,,0,0 | |
| 7234 CCCCCO,0,0,0,0,0,0,0 | |
| 7235 CNC(=O)C(c1ccccc1)c2ccccc2,0,0,0,0,0,,0 | |
| 7236 CN(C)CCc1c[nH]c2ccc(O)cc12,0,0,0,0,0,0,0 | |
| 7237 CC1CN(CCN1)c2cc3N(C=C(C(=O)O)C(=O)c3c(C)c2F)C4CC4,,0,0,0,0,0,0 | |
| 7238 CC1(C)C(O)CCC2(C)C1CCC3(C)C2C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(=O)O,0,,1,0,,,1 | |
| 7239 CCOc1ccccc1OC(C2CNCCO2)c3ccccc3,0,0,0,0,,0,0 | |
| 7240 COc1ccc(OC)c(Cl)c1,0,0,0,0,0,0,0 | |
| 7241 CCCCCCCCCCCCCC=O,0,0,0,0,0,0,0 | |
| 7242 Oc1ccc(cc1)C(=O)OCc2ccccc2,1,1,0,,,1,1 | |
| 7243 OCC=C,0,0,0,0,0,0,0 | |
| 7244 CN(C)C1C2CC3C(=C(O)C2(O)C(=C(C(=O)NCNC(CCCCN)C(=O)O)C1=O)O)C(=O)c4c(O)cccc4C3(C)O,0,,0,0,0,,0 | |
| 7245 Cc1ccc(cc1)C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2,0,,0,0,,,0 | |
| 7246 CNC(=O)C=C(C)OP(=O)(OC)OC,0,0,0,0,0,0,0 | |
| 7247 NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N2CCCC2C(=O)O,0,0,0,0,0,,0 | |
| 7248 CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C=CC=C(C)C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O,0,,0,0,0,,0 | |
| 7249 CN=C(N)NC(=O)Nc1c(C)cccc1C,0,0,0,0,0,0,0 |