drug string | solution int64 | problem string | id int64 |
|---|---|---|---|
CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-] | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-] | 100 |
O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl | 101 |
NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O | 102 |
CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 | 103 |
CN(C)[C@@H]1C(=O)/C(=C(\N)O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CN(C)[C@@H]1C(=O)/C(=C(\N)O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12 | 104 |
NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl | 105 |
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1 | 106 |
CC(C)(Oc1ccc(Cl)cc1)C(=O)O | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC(C)(Oc1ccc(Cl)cc1)C(=O)O | 107 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO | 108 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | 109 |
OCCC1CCN(CC/C=C2\c3ccc(F)cc3Sc3ccc(C(F)(F)F)cc32)CC1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
OCCC1CCN(CC/C=C2\c3ccc(F)cc3Sc3ccc(C(F)(F)F)cc32)CC1 | 110 |
O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 111 |
OCCN1CCN(CC/C=C2/c3ccccc3COc3ccc(Cl)cc32)CC1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
OCCN1CCN(CC/C=C2/c3ccccc3COc3ccc(Cl)cc32)CC1 | 112 |
NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 | 113 |
O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1 | 114 |
CCN(CC)CCOC(=O)c1ccc(N)cc1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CCN(CC)CCOC(=O)c1ccc(N)cc1 | 115 |
OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | 116 |
CN(C)CCCN1c2ccccc2Sc2ccccc21 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CN(C)CCCN1c2ccccc2Sc2ccccc21 | 117 |
CC(C)NCC(O)COc1cccc2[nH]ccc12 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC(C)NCC(O)COc1cccc2[nH]ccc12 | 118 |
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21 | 119 |
O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1 | 120 |
COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC | 121 |
NC1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
NC1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12 | 122 |
O=c1ccc2ccccc2o1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
O=c1ccc2ccccc2o1 | 123 |
Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 | 124 |
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C | 125 |
O=c1c(Cc2c(O)oc3ccccc3c2=O)c(O)oc2ccccc12 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
O=c1c(Cc2c(O)oc3ccccc3c2=O)c(O)oc2ccccc12 | 126 |
CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1 | 127 |
CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 128 |
C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O | 129 |
C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O | 130 |
O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1 | 131 |
CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2 | 132 |
CC(C)c1cccc(C(C)C)c1O | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC(C)c1cccc(C(C)C)c1O | 133 |
O=c1cc[nH]nc1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
O=c1cc[nH]nc1 | 134 |
Fc1ccccc1C1=NCC(=S)N(CC(F)(F)F)c2ccc(Cl)cc21 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
Fc1ccccc1C1=NCC(=S)N(CC(F)(F)F)c2ccc(Cl)cc21 | 135 |
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 136 |
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC | 137 |
O=C1C(=O)c2ccccc2C(O)=C1C1CCC(c2ccc(Cl)cc2)CC1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
O=C1C(=O)c2ccccc2C(O)=C1C1CCC(c2ccc(Cl)cc2)CC1 | 138 |
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | 139 |
CC(C[N+](C)(C)C)OC(N)=O.[Cl-] | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC(C[N+](C)(C)C)OC(N)=O.[Cl-] | 140 |
CC[N+](C)(C)Cc1ccccc1Br.Cc1ccc(S(=O)(=O)[O-])cc1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC[N+](C)(C)Cc1ccccc1Br.Cc1ccc(S(=O)(=O)[O-])cc1 | 141 |
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 | 142 |
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 | 143 |
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | 144 |
CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.[Cl] | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.[Cl] | 145 |
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | 146 |
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O | 147 |
CN[C@@H](C)[C@H](O)c1ccccc1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CN[C@@H](C)[C@H](O)c1ccccc1 | 148 |
Nc1c2c(nc3ccccc13)CCCC2 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
Nc1c2c(nc3ccccc13)CCCC2 | 149 |
CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21 | 150 |
COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2 | 151 |
CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21 | 152 |
COC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
COC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5 | 153 |
N[C@@H]1C[C@H]1c1ccccc1.[Cl-].[H+] | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
N[C@@H]1C[C@H]1c1ccccc1.[Cl-].[H+] | 154 |
O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12 | 155 |
CS(=O)(=O)OCCCCOS(C)(=O)=O | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CS(=O)(=O)OCCCCOS(C)(=O)=O | 156 |
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 157 |
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC.O | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC.O | 158 |
Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1 | 159 |
C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-] | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-] | 160 |
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O | 161 |
C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl | 162 |
CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1 | 163 |
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 | 164 |
NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl | 165 |
C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-] | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-] | 166 |
CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21 | 167 |
OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1 | 168 |
COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC | 169 |
CC(CN(C)C)CN1c2ccccc2CCc2ccccc21 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC(CN(C)C)CN1c2ccccc2CCc2ccccc21 | 170 |
CCCCNC(=O)OCC(C)(CCC)COC(N)=O | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CCCCNC(=O)OCC(C)(CCC)COC(N)=O | 171 |
O=c1ccn(C2OC(CO)C(O)C2O)c(=O)[nH]1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
O=c1ccn(C2OC(CO)C(O)C2O)c(=O)[nH]1 | 172 |
CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1 | 173 |
NC1CONC1=O | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
NC1CONC1=O | 174 |
NC(=O)NO | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
NC(=O)NO | 175 |
NC(N)=N/N=C/c1c(Cl)cccc1Cl | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
NC(N)=N/N=C/c1c(Cl)cccc1Cl | 176 |
CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2 | 177 |
NNc1nncc2ccccc12 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
NNc1nncc2ccccc12 | 178 |
NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O | 179 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO | 180 |
NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O | 181 |
CC(C)Cc1ccc(C(C)C(=O)O)cc1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC(C)Cc1ccc(C(C)C(=O)O)cc1 | 182 |
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1 | 183 |
CN1Cc2c(-c3noc([C@](C)(O)CO)n3)ncn2-c2cccc(Cl)c2C1=O | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CN1Cc2c(-c3noc([C@](C)(O)CO)n3)ncn2-c2cccc(Cl)c2C1=O | 184 |
NCCc1cn2ccccc2n1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
NCCc1cn2ccccc2n1 | 185 |
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@H]2O | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@H]2O | 186 |
Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 | 187 |
O=NN(CCCl)C(=O)NCCCl | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
O=NN(CCCl)C(=O)NCCCl | 188 |
NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O | 189 |
CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1 | 1 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1 | 190 |
O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O | 191 |
C[C@H](N)[C@H](O)c1cccc(O)c1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
C[C@H](N)[C@H](O)c1cccc(O)c1 | 192 |
CC(C)NCC(O)c1ccc(O)c(O)c1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC(C)NCC(O)c1ccc(O)c(O)c1 | 193 |
CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | 194 |
CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1 | 195 |
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O | 196 |
C=C1c2c(Cl)ccc(O)c2C(O)=C2C(=O)C3(O)C(=O)/C(=C(/N)O)C(=O)C(N(C)C)C3C(O)C12 | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
C=C1c2c(Cl)ccc(O)c2C(O)=C2C(=O)C3(O)C(=O)/C(=C(/N)O)C(=O)C(N(C)C)C3C(O)C12 | 197 |
Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl | 198 |
Cc1cccc(Nc2ccccc2C(=O)O)c1C | 0 | Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1cccc(Nc2ccccc2C(=O)O)c1C | 199 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.