58 SMILES Strings for Bile salt-activated lipase

Compound Name
SMILES String
CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)NCCCC)ccc2ccccc12 |(16.13,.89,;14.79,1.65,;13.46,.88,;12.12,1.65,;10.79,.86,;9.45,1.63,;9.43,3.17,;8.12,.86,;6.77,1.63,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,;5.44,.84,;5.44,-.7,;4.11,-1.47,;2.78,-.7,;1.45,-1.47,;1.45,-3.01,;.12,-.68,;-1.23,-1.47,;-2.56,-.68,;-3.9,-1.45,;-5.23,-.68,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,)|
CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12 |(-5.4,-.57,;-4.07,-1.34,;-2.73,-.57,;-1.4,-1.35,;-.06,-.57,;1.27,-1.35,;1.27,-2.89,;2.61,-.58,;3.94,-1.35,;3.94,-2.89,;5.28,-3.66,;6.6,-2.89,;7.93,-3.66,;9.28,-2.89,;9.28,-1.35,;7.95,-.57,;6.6,-1.35,;5.28,-.58,;5.28,.96,;6.6,1.74,;7.93,.97,;6.6,3.28,;5.25,4.05,;3.94,3.26,;2.59,4.03,;1.27,3.26,;1.27,1.72,;2.59,.95,;3.94,1.72,)|
Clc1ccc(CC2CCCCC2)c(=O)o1
Clc1ccc(CCCCC2CCCCC2)c(=O)o1
Clc1ccc(C2CCCC2)c(=O)o1
Clc1ccc(CCCC2CCCCC2)c(=O)o1
Clc1oc(=O)ccc1CCC1CCCCC1
Clc1ccc(CCC2CCCCC2)c(=O)o1
Clc1ccc(C2CCCCC2)c(=O)o1
CCCCNC(=O)Oc1ccc2ccccc2c1-c1c(OC(=O)CCC)ccc2ccccc12 |(-5.23,-.68,;-3.9,-1.45,;-2.56,-.68,;-1.23,-1.47,;.12,-.68,;1.45,-1.47,;1.45,-3.01,;2.78,-.7,;4.11,-1.47,;4.11,-3.01,;5.44,-3.78,;6.79,-3.01,;8.12,-3.78,;9.46,-3.01,;9.46,-1.47,;8.13,-.68,;6.79,-1.47,;5.44,-.7,;5.44,.84,;6.77,1.63,;8.12,.86,;9.45,1.63,;9.43,3.17,;10.79,.86,;12.12,1.65,;13.45,.88,;6.77,3.17,;5.44,3.94,;4.11,3.15,;2.78,3.92,;1.45,3.15,;1.45,1.6,;2.78,.83,;4.11,1.61,)|
O=c1oc(nc2sc3CN(Cc4ccccc4)CCc3c12)N1CCOCC1
CCN(CC)c1nc2sc(C(N)=O)c(C)c2c(=O)o1
Nc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)s1
CN(C)c1nc2sc3COCCc3c2c(=O)o1
O=c1sc(NC2CCCCC2)nc2sc3CN(Cc4ccccc4)CCc3c12
O=c1sc(Nc2ccccc2)nc2sc3CN(Cc4ccccc4)CCc3c12
CN(C1CCCCC1)c1nc2sc3CCCCc3c2c(=O)o1
CCN1CCc2c(C1)sc1nc(oc(=O)c21)N(C)C
CCN(CC)c1nc2sc3ccccc3c2c(=O)o1
O=c1oc(Nc2ccccc2)nc2sc3CN(Cc4ccccc4)CCc3c12
CCN(CC)c1nc2sc3CCCc3c2c(=O)o1
Nc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)o1
CCN(CC)c1nc2sc3CCCCc3c2c(=O)o1
CCN(CC)c1nc2scc(C)c2c(=O)o1
O=c1oc(nc2sc3CCCCc3c12)N1CCOCC1
CC(C)Nc1nc2sc3CCCCc3c2c(=O)o1
O=C(Nc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)o1)c1ccccc1
COc1ccc(CN(C)c2nc3sc4CN(Cc5ccccc5)CCc4c3c(=O)o2)cc1OC
CN(C)c1nc2sc3CCCCc3c2c(=O)o1
O=c1oc(NC2CCCCC2)nc2sc3CN(Cc4ccccc4)CCc3c12
CCN(CC)c1nc2scc(C(C)C)c2c(=O)o1
CN(C)c1nc2sc3CN(C)CCc3c2c(=O)o1
CCN(CC)c1nc2sc3CCCC(C)c3c2c(=O)o1
CCN(CC)c1nc2sc3CCCCCc3c2c(=O)o1
O=C(Nc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)s1)c1ccccc1
CC(C)Nc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)o1
CCN(CC)c1nc2sc(C)c(C)c2c(=O)o1
CCN(CC)c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)o1
O=c1oc(nc2sc3CN(Cc4ccccc4)CCc3c12)N1CCN(Cc2ccccc2)CC1
CN(C)c1nc2sc3CN(CCc3c2c(=O)o1)C(=O)c1ccccc1
CC(C)Nc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)s1
CN(C)c1nc2sc3CSCCc3c2c(=O)o1
CN(C)c1nc2sc3CCCc3c2c(=O)o1
CN(Cc1ccccc1)c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)o1
CC(C)CN1CCc2c(C1)sc1nc(oc(=O)c21)N(C)C
CN(C)c1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)o1
Clc1cccc(n1)N1C(=O)C2=C(CCCC2)S1(=O)=O |t:11|
Fc1nc(F)c(F)c(N2C(=O)c3ccccc3S2(=O)=O)c1F
O=C1N(c2cc[nH+]cc2)S(=O)(=O)C2=C1CCCC2 |c:13|
Fc1c(F)c(F)c(N2C(=O)C3=C(CCCC3)S2(=O)=O)c(F)c1F |t:10|
CC1=C(C(=O)N(c2c(F)c(F)nc(F)c2F)S1(=O)=O)c1ccccc1 |t:1|
CC1=C(C)S(=O)(=O)N(C1=O)c1c(F)c(F)nc(F)c1F |c:1|
Fc1nc(F)c(F)c(N2C(=O)C3=C(CCCC3)S2(=O)=O)c1F |t:11|
Fc1cnc(N2C(=O)C3=C(CCCC3)S2(=O)=O)c(F)c1 |t:8|
Brc1cccc(n1)N1C(=O)C2=C(CCCC2)S1(=O)=O |t:11|
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O |r|
COc1ccc2C=C3N(CCc4cc5OCOc5cc34)Cc2c1OC |c:6|