SMILES,LOAEL,Dataset
N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.00013497,swiss
Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,0.00020191,swiss
OC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,0.00027647,swiss
CCOP(=S)(SCSC(C)(C)C)OCC,0.0003467,swiss
COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,0.00058619,swiss
CCSCSP(=S)(OCC)OCC,0.00061449,swiss
CSc1ccc(cc1C)OP(=S)(OC)OC,0.00071858,swiss
CCOP(=O)(SC(CC)C)SC(CC)C,0.00082103,swiss
CNC(=O)CSP(=S)(OC)OC,0.00087238,swiss
CCS(=O)CCSP(=O)(OC)OC,0.00089328,swiss
OC(=O)c1ccccc1.CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C,0.00099183,swiss
COP(=O)(SCCS(=O)(=O)CC)OC,0.0011438,swiss
COC1CC(OC2C(C)C=CC=C3COC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C.COC1CC(OC(C1OC1CC(OC)C(C(O1)C)O)C)OC1C(C)C=CC=C2COC3C2(O)C(C=C(C3O)C)C(=O)OC2CC(CC=C1C)OC1(C2)C=CC(C(O1)C(C)C)C,0.0011546,swiss
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.0012167,swiss
CCOP(=O)(N1CCSC1=O)SC(CC)C,0.0013411,swiss
O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,0.0014146,swiss
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.0015164,swiss
CCSCCSP(=O)(OC)OC,0.0015199,swiss
COC(=O)/C=C(/OP(=O)(OC)OC)\C,0.0015615,swiss
C1CCC(CC1)[Sn](n1ncnc1)(C1CCCCC1)C1CCCCC1,0.001811,swiss
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.0018996,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,0.0019884,swiss
COP(=O)(SC)N,0.0020549,swiss
CCCSP(=O)(SCCC)OCC,0.0020632,swiss
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.0020896,swiss
COc1sc(=O)n(n1)CSP(=S)(OC)OC,0.0021169,swiss
O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,0.0023819,swiss
OC(=O)c1ccccc1.CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C,0.0024796,swiss
CSc1ccc(cc1C)OP(=S)(OC)OC,0.0025869,swiss
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,0.0025963,swiss
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.0028524,swiss
COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,0.0031005,swiss
Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C,0.0033028,swiss
CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,0.0033631,swiss
CNC(=O)Oc1cccc2c1OC(O2)(C)C,0.0035838,swiss
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,0.0036089,swiss
OC(=O)COc1nc(Cl)c(cc1Cl)Cl,0.0038991,swiss
CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)Oc1ccc(cc1)C)C,0.0039076,swiss
CCOP(=S)(Oc1ncn(n1)c1ccccc1)OCC,0.0041492,swiss
CCOP(=O)(O/C(=C/Cl)/c1ccc(cc1Cl)Cl)OCC,0.0041717,swiss
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,0.0046817,swiss
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)/C=C(/c1ccc(cc1)Cl)\Cl,0.0048983,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,0.0049485,swiss
CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.0052881,swiss
CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.0053981,swiss
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.0054934,swiss
CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C,0.0056016,swiss
CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,0.005604,swiss
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.0056725,swiss
COc1sc(=O)n(n1)CSP(=S)(OC)OC,0.0056891,swiss
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,0.0059382,swiss
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,0.0060387,swiss
ClC([N+](=O)[O-])(Cl)Cl,0.0060836,swiss
COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F,0.0068203,swiss
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,0.0068777,swiss
CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.0069218,swiss
Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,0.0071176,swiss
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.0071266,swiss
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,0.0072932,swiss
CCNc1nc(Cl)nc(n1)NC(C)(C)C,0.0074006,swiss
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,0.0075484,swiss
N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,0.0080563,swiss
CN(C(=S)S[Zn]SC(=S)N(C)C)C,0.0081749,swiss
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.0082134,swiss
Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,0.0083854,swiss
COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,0.0085086,swiss
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,0.0085834,swiss
Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,0.0091362,swiss
CCCN(C(=O)SCc1ccccc1)CCC,0.0091492,swiss
COCN(c1c(CC)cccc1CC)C(=O)CCl,0.0092673,swiss
CON(C(=O)Nc1ccc(cc1)Cl)C,0.0093175,swiss
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,0.0094369,swiss
COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,0.0094982,swiss
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,0.0096257,swiss
CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,0.0098862,swiss
N#C/N=C\1/SCCN1Cc1ccc(nc1)Cl,0.0098922,swiss
Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1cnn(c1O)C,0.0099068,swiss
CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F,0.0099095,swiss
OCC(CCl)O,0.0099512,swiss
CCCSP(=O)(SCCC)OCC,0.010069,swiss
COP(=O)(OC=C(Cl)Cl)OC,0.010408,swiss
CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,0.010428,swiss
CCOC(=O)Nc1cccc(c1)OC(=O)Nc1ccccc1,0.010656,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Br)Br,0.010689,swiss
CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC,0.010713,swiss
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,0.01087,swiss
O=C(C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C,0.011264,swiss
Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)[N+](=O)[O-])C(F)(F)F,0.011396,swiss
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.012287,swiss
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.01241,swiss
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,0.012606,swiss
Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,0.01268,swiss
CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2=CC3C(C2CC(=O)O1)C=C(C)C1C3CC(C1)OC1OC(C)C(C(C1OC)OC)OC,0.012735,swiss
CC1C=CC=C2COC3C2(O)C(C=C(C3O)C)C(=O)OC2CC(CC=C(C1)C)OC1(C2)CCC(C(O1)C)C,0.012862,swiss
COc1ccc(cc1NNC(=O)OC(C)C)c1ccccc1,0.012985,swiss
COP(=O)(NC(=O)C)SC,0.013649,swiss
C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.013691,swiss
O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,0.013701,swiss
NC1=C(Cl)C(=O)c2c(C1=O)cccc2,0.01392,swiss
O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,0.01409,swiss
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,0.014106,swiss
CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,0.01425,swiss
CON(C(=O)Nc1ccc(cc1)Br)C,0.014357,swiss
CCNc1nc(NC(C)C)nc(n1)Cl,0.014373,swiss
CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,0.014687,swiss
N#CC(c1ccc(cc1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,0.01496,swiss
Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,0.015124,swiss
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.015163,swiss
N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,0.015292,swiss
CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,0.015303,swiss
O[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1,0.015578,swiss
c1cc[n+]2c(c1)c1cccc[n+]1CC2,0.015795,swiss
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,0.015853,swiss
CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,0.016106,swiss
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,0.016161,swiss
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,0.016429,swiss
CCN(C(=O)SCc1ccc(cc1)Cl)CC,0.016681,swiss
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.017114,swiss
BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.017185,swiss
CC(NC(=S)[S])CNC(=S)S[Zn],0.017255,swiss
CC(NC(=S)[S])CNC(=S)S[Zn],0.017255,swiss
COCC(N(c1c(C)csc1C)C(=O)CCl)C,0.018129,swiss
Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,0.018195,swiss
N#Cc1c(Cl)cccc1Cl,0.018603,swiss
CNC(=O)ON=C(C(=O)N(C)C)SC,0.01911,swiss
CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,0.019469,swiss
CCO/N=C(\C1=C(O)CC(CC1=O)C1CCCSC1)/CCC,0.019664,swiss
C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.020134,swiss
CCOc1snc(n1)C(Cl)(Cl)Cl,0.0202,swiss
N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,0.020248,swiss
c1cc[n+]2c(c1)c1cccc[n+]1CC2,0.021168,swiss
CN1CN(C)CSC1=S,0.022184,swiss
CNC(=O)ON=C(C(=O)N(C)C)SC,0.022348,swiss
CNC(=O)Oc1cccc2c1OC(C2)(C)C,0.022599,swiss
OC(=O)COc1ccc(cc1Cl)Cl,0.022621,swiss
CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,0.0228,swiss
COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC,0.023207,swiss
CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,0.023407,swiss
O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,0.023557,swiss
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.025091,swiss
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.025091,swiss
OC(=O)C(Oc1ccc(cc1C)Cl)C,0.025624,swiss
Clc1ccccc1CC(C1(Cl)CC1)(Cn1cncn1)O,0.025625,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,0.026676,swiss
CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.026795,swiss
O=C(C1C(C1(C)C)C=C(Cl)Cl)OCc1c(F)c(F)cc(c1F)F,0.026943,swiss
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,0.027032,swiss
Cc1nn(c(c1C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)O)C,0.0276,swiss
C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl,0.027961,swiss
OC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,0.028167,swiss
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,0.028211,swiss
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.028228,swiss
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,0.028524,swiss
CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,0.028877,swiss
N#Cc1cc(Br)c(c(c1)Br)O,0.02889,swiss
CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,0.029113,swiss
C#CCOC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,0.029164,swiss
Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.029212,swiss
CCOC(=O)c1cn2nc(cc2nc1C)OP(=S)(OCC)OCC,0.029462,swiss
CC(N1/C(=N/C(C)(C)C)/SCN(C1=O)c1ccccc1)C,0.029466,swiss
Nc1n[nH]cn1,0.029734,swiss
COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,0.030124,swiss
Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.030227,swiss
CN(C(=S)SSC(=S)N(C)C)C,0.030362,swiss
COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],0.030507,swiss
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,0.031381,swiss
Fc1ccc(cc1)[Si](c1ccc(cc1)F)(Cn1cncn1)C,0.031707,swiss
CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC(=C)C,0.032107,swiss
Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,0.032155,swiss
CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,0.032241,swiss
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(F)(F)F,0.032652,swiss
CN1CN(C)CSC1=S,0.03266,swiss
FC(=C(F)F)CCS(=O)(=O)c1ncc(s1)Cl,0.032911,swiss
CS/C(=N/OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/C,0.033853,swiss
Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,0.033854,swiss
CN(/C=N/c1ccc(cc1C)C)/C=N/c1ccc(cc1C)C,0.034082,swiss
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.034283,swiss
ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1ccc(cn1)C(F)(F)F)Cl,0.034819,swiss
O=C(C1=C(C)OCCS1)Nc1ccccc1,0.034849,swiss
CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1ccc(cc1Cl)Cl)(C)C,0.035787,swiss
CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C,0.036345,swiss
CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N,0.0368,swiss
C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,0.036904,swiss
OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,0.037441,swiss
Clc1ccc(cc1)c1ccccc1NC(=O)c1cccnc1Cl,0.037878,swiss
CCOC(=O)CSc1nc(nn1C(=O)N(C)C)C(C)(C)C,0.038167,swiss
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,0.03991,swiss
O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.039948,swiss
CNC(=S)S,0.040113,swiss
CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.04042,swiss
CCCOC/C(=N\c1ccc(cc1C(F)(F)F)Cl)/n1cncc1,0.040492,swiss
OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.040959,swiss
CCC(=O)Nc1ccc(c(c1)Cl)Cl,0.041269,swiss
CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,0.041577,swiss
Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,0.042008,swiss
CN(C(=S)S[Zn]SC(=S)N(C)C)C,0.04251,swiss
Clc1ccc(c(c1)Cl)C1(OCCO1)Cn1cncn1,0.042647,swiss
CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,0.04267,swiss
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,0.042799,swiss
O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,0.042917,swiss
S=C1NCCCN1,0.043035,swiss
OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,0.043148,swiss
CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,0.043261,swiss
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.04421,swiss
CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C,0.044321,swiss
[S-]C(=S)NCCNC(=S)[S-].[Zn+2],0.044607,swiss
O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,0.045407,swiss
CCNc1nc(NC(C)C)nc(n1)Cl,0.046364,swiss
C[n+]1ccc(cc1)c1cc[n+](cc1)C,0.047623,swiss
S=C1NCCCN1,0.048199,swiss
CCC(C(=O)NCc1ccccc1)Oc1ccc(c(c1)C(F)(F)F)F,0.049813,swiss
O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.049825,swiss
CN(C(=S)SSC(=S)N(C)C)C,0.04991,swiss
ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,0.050302,swiss
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.050475,swiss
C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,0.0508,swiss
CCNc1nc(c(s1)C(=O)NC(c1cccs1)C#N)CC,0.051181,swiss
CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,0.051619,swiss
COP(=O)(C(C(Cl)(Cl)Cl)O)OC,0.051663,swiss
COCN(c1c(CC)cccc1CC)C(=O)CCl,0.051897,swiss
CNC(=O)Oc1cccc(c1)/N=C/N(C)C,0.051976,swiss
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.0525,swiss
Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O,0.052839,swiss
CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,0.05326,swiss
O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,0.053352,swiss
C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,0.053503,swiss
C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,0.054928,swiss
CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,0.055205,swiss
CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,0.055221,swiss
O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,0.055661,swiss
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,0.055901,swiss
COc1nc(nc(n1)C)NC(=O)[N-]S(=O)(=O)c1cc(I)ccc1C(=O)OC.[Na+],0.056118,swiss
O=C(C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCON=C(C)C,0.056322,swiss
Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,0.057068,swiss
CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,0.05708,swiss
CCOCCN(C(=C(C)C)c1ccccc1)C(=O)CCl,0.05747,swiss
CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,0.058461,swiss
CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,0.059321,swiss
Nc1n[nH]cn1,0.059467,swiss
NC#N,0.059467,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.059538,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.059538,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,0.059538,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,0.060099,swiss
CC(OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)C,0.060498,swiss
CSc1nnc(c(=O)n1N)C(C)(C)C,0.060666,swiss
C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,0.06135,swiss
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F,0.062106,swiss
COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,0.062141,swiss
Clc1cc(F)c(cc1C(=O)NS(=O)(=O)N(C(C)C)C)n1c(=O)cc(n(c1=O)C)C(F)(F)F,0.062693,swiss
ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.063366,swiss
CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,0.06362,swiss
ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.063892,swiss
O=C(NS(=O)(=O)c1c(C)cccc1C(=O)O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,0.063963,swiss
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.06424,swiss
O=C(N(C)C)Nc1ccc(c(c1)Cl)n1nc(oc1=O)C(C)(C)C,0.064937,swiss
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.065073,swiss
CC1N(C(=O)NC2CCCCC2)C(=O)SC1c1ccc(cc1)Cl,0.065462,swiss
CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,0.065695,swiss
CSc1nnc(c(=O)n1N)C(C)(C)C,0.067199,swiss
CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,0.067731,swiss
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,0.06905,swiss
CCO/N=C(/C1=C(O)CC(CC1=O)c1c(C)cc(cc1C)C)\CC,0.069817,swiss
CO/N=C(/c1ccccc1COc1cc(C)ccc1C)\C(=O)NC,0.070468,swiss
COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,0.071727,swiss
C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C,0.071903,swiss
CO/N=C(\c1ccccc1CO/N=C(/c1cccc(c1)C(F)(F)F)\C)/C(=O)OC,0.072728,swiss
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.073957,swiss
OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,0.074093,swiss
ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,0.074659,swiss
Cn1nc(c(c1)C(=O)Nc1cccc2c1C1CCC2C1=C(Cl)Cl)C(F)F,0.075835,swiss
N#C/N=C(/N(Cc1ccc(nc1)Cl)C)\C,0.07859,swiss
NC(=N)NCCCCCCCCNC(=N)N,0.08102,swiss
CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,0.081968,swiss
Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,0.082121,swiss
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.082724,swiss
COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,0.083323,swiss
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,0.084301,swiss
CCO/N=C(\C1=C(O)CC(CC1=O)C1CCCSC1)/CCC,0.08603,swiss
CCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC(=C)C,0.087018,swiss
COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.087661,swiss
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.087784,swiss
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,0.089478,swiss
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,0.092038,swiss
Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,0.092103,swiss
NC(=O)c1c(Cl)cccc1Cl,0.092619,swiss
COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,0.092818,swiss
Clc1ccc(c(c1)Cl)NC(=O)C1(CC1)C(=O)O,0.093032,swiss
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.09346,swiss
OC(=O)COc1ccc(cc1C)Cl,0.094707,swiss
Cc1nnc(c(=O)n1N)c1ccccc1,0.096433,swiss
[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,0.097395,swiss
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.099506,swiss
COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,0.10344,swiss
CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,0.10394,swiss
CC(c1nn(c(=O)n1N)C(=O)NC(C)(C)C)C,0.10485,swiss
COCc1c(F)c(F)c(c(c1F)F)COC(=O)C1C(C1(C)C)/C=C/C,0.10573,swiss
S=C1NCCNC(=S)S[Mn+2]S1,0.10856,swiss
CCNc1nc(NC(C)C)nc(n1)Cl,0.10942,swiss
CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,0.11029,swiss
COC(=O)c1c(nc(c(c1CC(C)C)C1=NCCS1)C(F)(F)F)C(F)F,0.11151,swiss
O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,0.11577,swiss
CBr,0.11586,swiss
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,0.11727,swiss
CNC(=O)O/N=C(\SC)/C,0.11837,swiss
CCNC(=O)NC(=O)/C(=N\OC)/C#N,0.11858,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.12011,swiss
CNC(=O)Oc1cc(C)c(c(c1)C)SC,0.12427,swiss
c1coc(c1)c1nc2c([nH]1)cccc2,0.12487,swiss
CO/C=C(\c1ccccc1COc1cccc(n1)C(F)(F)F)/C(=O)OC,0.12523,swiss
CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,0.12545,swiss
ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,0.12778,swiss
O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,0.1292,swiss
[O-][N+](=O)/N=C(\NC)/NCc1cnc(s1)Cl,0.13017,swiss
CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,0.13732,swiss
Cc1cccc2c1n1cnnc1s2,0.13739,swiss
CCC(Nc1c(cc(cc1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C,0.13747,swiss
CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C,0.13801,swiss
CC(OC(=O)Nc1cccc(c1)Cl)C,0.14041,swiss
COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)O)C,0.14422,swiss
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=S)O,0.14524,swiss
CC(=O)O.CCCCCCCCCCCCNC(=N)N,0.14612,swiss
CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,0.14653,swiss
c1ccc(cc1)Nc1ccccc1,0.14773,swiss
CC(N1C(=O)c2ccccc2NS1(=O)=O)C,0.14983,swiss
N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,0.15043,swiss
CCNC(=O)NC(=O)/C(=N\OC)/C#N,0.15289,swiss
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,0.15479,swiss
OC(=O)C(Oc1ccc(cc1Cl)Cl)C,0.15528,swiss
Cc1nc(Nc2ccccc2)nc(c1)C1CC1,0.15802,swiss
CC(OC(=O)Nc1ccccc1)C,0.16182,swiss
C#CC(NC(=O)c1cc(Cl)cc(c1)Cl)(C)C,0.16593,swiss
O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C,0.16893,swiss
Cc1ccc(c2c1cccc2)C,0.17283,swiss
Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C,0.17304,swiss
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.17527,swiss
CCCCCCC(c1cc(cc(c1OC(=O)/C=C/C)[N+](=O)[O-])[N+](=O)[O-])C,0.17563,swiss
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.17608,swiss
CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],0.17676,swiss
Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,0.17868,swiss
N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,0.17901,swiss
CBr,0.17906,swiss
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,0.18016,swiss
CC1=NNC(=O)N(C1)/N=C/c1cccnc1,0.18092,swiss
N#CCNC(=O)c1cnccc1C(F)(F)F,0.19244,swiss
CCCCCCC(c1cc(cc(c1OC(=O)/C=C\C)[N+](=O)[O-])[N+](=O)[O-])C,0.19484,swiss
c1scc(n1)c1nc2c([nH]1)cccc2,0.19876,swiss
Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,0.2022,swiss
CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,0.20427,swiss
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,0.20983,swiss
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,0.219,swiss
ClCC(=O)N(c1c(C)cccc1CC)COC(C)C,0.22199,swiss
CC(Nc1nc(NC(C)C)nc(n1)Cl)C,0.22202,swiss
Nc1cnn(c(=O)c1Cl)c1ccccc1,0.22559,swiss
CNC(=O)Oc1ccccc1OC(C)C,0.2294,swiss
O=CNC(C(Cl)(Cl)Cl)N1CCN(CC1)C(C(Cl)(Cl)Cl)NC=O,0.22991,swiss
CC(CC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)C)C,0.23093,swiss
CCNC(=O)C(OC(=O)Nc1ccccc1)C,0.23279,swiss
Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,0.23426,swiss
CC1=C(C)S(=O)(=O)CCS1(=O)=O,0.23779,swiss
Cl/C=C/CO/N=C(\C1=C(O)CC(CC1=O)CC(SCC)C)/CC,0.23895,swiss
Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,0.24019,swiss
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.24799,swiss
CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,0.24968,swiss
CC1OC(C)OC(OC(O1)C)C,0.2497,swiss
[S]C(=S)NCCNC(=S)S[Mn],0.25254,swiss
CCOCN(c1c(C)cccc1CC)C(=O)CCl,0.25578,swiss
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.25917,swiss
Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl,0.25963,swiss
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,0.26909,swiss
Nc1cnn(c(=O)c1Cl)c1ccccc1,0.27071,swiss
OCC(CCl)O,0.2714,swiss
CC(CC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)C)C,0.27823,swiss
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,0.28045,swiss
OC(=O)COc1ccc(cc1Cl)Cl,0.2805,swiss
CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl,0.28052,swiss
Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,0.28797,swiss
CCCCOCCOCCOCc1cc2OCOc2cc1CCC,0.29547,swiss
CNC(=O)Oc1cccc2c1cccc2,0.29917,swiss
CN(C(=S)[S-])C.CN(C(=S)[S-])C.CN(C(=S)[S-])C.[Fe+3],0.30012,swiss
Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,0.30333,swiss
CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,0.3035,swiss
NC1CC(N=C(C(=O)O)N)C(OC1OC1C(O)C(O)C(C(C1O)O)O)C,0.30578,swiss
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.31204,swiss
ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,0.31323,swiss
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,0.32143,swiss
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.32603,swiss
CCCCCCC(c1cc(cc(c1OC(=O)/C=C\C)[N+](=O)[O-])[N+](=O)[O-])C,0.33151,swiss
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,0.33268,swiss
OC(=O)CSc1cc(/N=c/2\sc(=O)n3n2CCCC3)c(cc1Cl)F,0.33346,swiss
OC(=O)COc1ccc(cc1Cl)Cl,0.33931,swiss
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,0.36707,swiss
Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,0.3678,swiss
O=CNC(C(Cl)(Cl)Cl)N1CCN(CC1)C(C(Cl)(Cl)Cl)NC=O,0.36785,swiss
CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,0.36852,swiss
Cc1nnc(c(=O)n1N)c1ccccc1,0.36892,swiss
O=C(Nc1ccnc(c1)Cl)Nc1ccccc1,0.37548,swiss
O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,0.38809,swiss
CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,0.39446,swiss
CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,0.39448,swiss
N#Cc1ccc(cc1)C/C(=N/NC(=O)Nc1ccc(cc1)OC(F)(F)F)/c1ccc(cc1)C(F)(F)F,0.39494,swiss
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,0.40234,swiss
O=C1N(OCC1(C)C)Cc1ccccc1Cl,0.41719,swiss
CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,0.42802,swiss
CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,0.43159,swiss
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0.43286,swiss
CO/C=C(\c1ccccc1COc1cccc(n1)C(F)(F)F)/C(=O)OC,0.44103,swiss
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.44602,swiss
N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,0.45531,swiss
CSC(=O)c1cccc2c1snn2,0.46082,swiss
COCN(c1c(CC)cccc1CC)C(=O)CCl,0.46707,swiss
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,0.47057,swiss
ClCC[N+](C)(C)C.[Cl-],0.47448,swiss
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,0.47742,swiss
CC1OC(C)CN(C1)C1CCCCCCCCCCC1,0.48317,swiss
CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,0.49302,swiss
O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,0.50364,swiss
CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.5061,swiss
CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,0.5061,swiss
N#Cc1c[nH]cc1c1cccc(c1Cl)Cl,0.50615,swiss
CCCOC(=O)NCCCN(C)C.Cl,0.50728,swiss
CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,0.51169,swiss
CCOc1cc(ccc1C1COC(=N1)c1c(F)cccc1F)C(C)(C)C,0.5203,swiss
COCC(N(c1c(C)cccc1CC)C(=O)CCl)C,0.52855,swiss
[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,0.53134,swiss
COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,0.54657,swiss
Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,0.54739,swiss
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,0.56518,swiss
COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,0.5994,swiss
COCCN(c1c(C)cccc1C)C(=O)CCl,0.6139,swiss
O=Cc1ccco1,0.62445,swiss
COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,0.63528,swiss
OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,0.64063,swiss
CC(OC(=O)NC(C(=O)NC(c1nc2c(s1)cc(cc2)F)C)C(C)C)C,0.65432,swiss
CCCOC(=O)NCCCN(C)C.Cl,0.66747,swiss
ClCC(=O)N(c1c(C)cccc1CC)COC(C)C,0.70474,swiss
CCOc1nc(F)cc2n1nc(n2)S(=O)(=O)Nc1c(Cl)cccc1C(=O)OC,0.75615,swiss
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,0.77956,swiss
Clc1ccc(c(n1)C(=O)O)Cl,0.78125,swiss
Clc1ccc(c(n1)C(=O)O)Cl,0.78125,swiss
COC(=O)NS(=O)(=O)c1ccc(cc1)N,0.78179,swiss
ClCC[N+](C)(C)C.[Cl-],0.79079,swiss
COC(CCCC(C/C=C/C(=C/C(=O)OC(C)C)/C)C)(C)C,0.80523,swiss
CCOc1cc(ccc1OCC)NC(=O)OC(C)C,0.8241,swiss
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,0.8283,swiss
ClCC[N+](C)(C)C.[Cl-],0.86038,swiss
ClCCP(=O)(O)O,0.90661,swiss
Nc1nc(NC2CC2)nc(n1)N,0.93872,swiss
O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,0.96626,swiss
Oc1noc(c1)C,0.99911,swiss
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,1.0354,swiss
Cc1cc(C)nc(n1)Nc1ccccc1,1.1091,swiss
COc1cccc(c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,1.1154,swiss
Oc1ccccc1c1ccccc1,1.175,swiss
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,1.178,swiss
CCCOc1nn(c(=O)n1C)C(=O)[N-]S(=O)(=O)c1ccccc1C(=O)OC.[Na+],1.1894,swiss
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,1.1968,swiss
OC(=O)Cc1cccc2c1cccc2,1.2057,swiss
OC(=O)C(CCP(=O)(O)C)N,1.2638,swiss
COC(=O)Nc1nc2c([nH]1)cccc2,1.3076,swiss
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,1.3412,swiss
COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,1.3917,swiss
O=C(Nc1cc(F)cc(c1)F)N/N=C(/c1ncccc1C(=O)O)\C,1.412,swiss
CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,1.4316,swiss
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,1.5855,swiss
CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,1.606,swiss
CCc1c(C(=O)O)c(=O)cnn1c1ccc(cc1)Cl,1.6865,swiss
O/C(=C\1/C(=O)CC(CC1=O)C(=O)O)/C1CC1,1.7528,swiss
OC(=O)CNCP(=O)(O)O,1.7744,swiss
C[N+]1(C)CCCCC1.[Cl-],1.7907,swiss
CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,1.8051,swiss
CCC(=O)C1=C([O-])CC(CC1=O)C(=O)[O-].[Ca+2],1.874,swiss
OC(=O)COc1nc(F)c(c(c1Cl)N)Cl,1.9605,swiss
Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=S)O,2.1786,swiss
COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,2.3023,swiss
CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,2.4002,swiss
COC(=O)CC(c1ccc(cc1)Cl)NC(=O)C(C(C)C)NC(=O)OC(C)C,2.507,swiss
COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1ccccc1OC(F)(F)F,2.5233,swiss
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,2.7557,swiss
CN(NC(=O)CCC(=O)O)C,3.0343,swiss
CCCOC(=O)NCCCN(C)C.Cl,3.0348,swiss
Oc1ccccc1c1ccccc1,3.1197,swiss
OC(=O)CNCP(=O)(O)O,3.3122,swiss
Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,3.3388,swiss
[O-]P(=O)OCC.[O-]P(=O)OCC.[O-]P(=O)OCC.[Al+3],3.6854,swiss
Oc1ccc(nn1)O,4.4608,swiss
C[N+]1(C)CCCCC1.[Cl-],4.5703,swiss
Clc1cc(N)c(c(n1)C(=O)O)Cl,4.8306,swiss
CNC(=N[N](=O)[O])NCC1COCC1,4.9008,swiss
COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,5.0877,swiss
OC(=O)CNCP(=O)(O)O,5.5597,swiss
Oc1ccccc1c1ccccc1,5.8752,swiss
OC(=O)CNCP(=O)(O)O,7.1803,swiss