FID,SMILES,ACOUNT
428715,O=C(N1CCCC(C1)NC2=CC=CC=C2)C3=NNC=C3,20
236650,N1C=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3,17
273518,N1C=C(N=C1C2=CC=CC=C2)C3=CC=CS3,16
232554,O=C(NCCC1=CC=CC=C1)C2CCNCC2,17
527663,O=C(CN1C=C(COC2=CC=CC=C2)N=N1)C3=CC=CC=C3,22
230833,C(OC1=CC=CC=C1)C2=CC=CO2,13
349410,S=C(NC1=CC=CC=C1)N2CCCC(C2)C3=NC4=C(N3)C=CC=C4,24
278346,O=C1CN(C2CCCCC2)C(=O)C(N1CCC3=CC=CC=C3)C4=CC=CC=C4,28
231730,C(NCC1=CC=CC=C1)C2=CC=CO2,14
250989,C1NC(C2=NC=CC=C2)=C(N=C1)C3=NC=CC=C3,18
367125,O=C(NC1=CC=CC=C1)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3,25
221806,O=C(N1CCCC1)C2=CC=CC=C2,13
246497,O=C(CSC1=CC=CC=C1)NC2=CC=CC=C2,17
227630,C1CC2CCC1CN2,8
284050,C(C1CCN(CC1)C2=CN=CO2)C3=CC=CC=C3,18
265562,O=C1CCOC(C1)=C2COCC=C2,13
224040,C1=CN(N=C1)C2=CC=CC=C2,11
223284,N=C1C=CNC2=C1C=CC=C2,11
273323,O=C(N=C1ONC=C1)C2=CC=CC=C2,14
456725,O=C(COC(=O)C1=C(C=CC=C1)N2CCOCC2)NC3=CC=CC=C3,25
244348,O=P(CC1=CC=CC=C1)C2=CC=CC=C2,15
221631,C1CN(CCN1)C2=CC=CC=C2,12
231442,O=C1OC(C2NCCC3=C2C=C4OCOC4=C3)C5=C1C6=C(OCO6)C=C5,26
418659,O=C(N1CCCN(CC1)C2=NC=CC=N2)C3=CC=CC=C3,21
237748,O=C(CNC1=CC=CC=C1)NC2=CC=CC=C2,17
224573,C(N=CC1=CC=CC=C1)C2=CC=CC=C2,15
247843,O=C1C=CN(CC2=CC=CC=C2)C3=C1C=CC=C3,18
234481,O=C(N=C1C=CC2=NC=CNC2=C1)N3CCCCC3,19
231266,C1CC23C(CCCC2NC4=C3C=C(C=C4)C5CCCNCCC6=C5NC7=C6C=CC=C7)N1,32
250535,O=C1CCCCC1=CNC2=CC=CC=C2,15
229959,C1CC2=C(CO1)SC=C2,9
239492,O=C(NC1=CC=CC=C1)N2CCC=CC2,15
283516,O=C(CNC(=O)C1=CC=CC=C1)NCC2=CC=CC=C2,20
269840,O=C1CN=C2N1C(SCC3=CC=CC=C3)=NC4=C2C=CC=C4,22
268130,C1NC=NC2=C1C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4,21
344475,O=C(OC1C(=O)C=C2C=C(OC=C2C1=O)C3=CSC=C3)C4=NC=CN=C4,26
221631,C1CN(CCN1)C2=CC=CC=C2,12
433944,O=C(CN=CCNC(=O)C1CCCN1C(=O)CN=CCN=CCN=CCN=CCN=CCN=CCN=CCN=CCCC2=CNC=N2)NCC(=O)N3CCCC3C(=O)NCC=NCCC4=CNC5=C4C=CC=C5,73
276452,O=C1C=C(C2=CNN=C2N1CC3=CC=CC=C3)C4=CC=CC=C4,23
242241,C(OC1=CC=CC=C1)C2=NNCS2,13
238948,N=C1C=NC2=CNC=CN12,10
276051,C1CN=C(C=C1)N2CCN(CC2)C3=CC=CC=C3,18
268522,O=S(=O)(NCC1CCCO1)C2=CC(=CC=C2)C3=NNC(=NC4=CC=CC=C4)C5=C3C=CC=C5,33
272624,O=C1NC=CN2C=CC=C12,10
356395,C(C1CCCO1)N2C=NN=C2C3=CNC4=C3C=CC=C4,20
259379,C1CC2CC3(CCCCO3)OC2C1,13
234858,C(NC1CC1)C2=CC=CC=C2,11
486817,O=C(NC1=CC=CC=C1)C2=CNN=N2,14
275635,O=C(NCC1=CC=CC=C1)C2CCCN(C2)C3=NN=CC4=CN(N=C34)C5=CC=CC=C5,31
406077,O=C(CNC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)OCC3=CC=CC=C3,27
231854,O=C(CN1N=CN=N1)NC2=CC=CC=C2,15
305056,O=C(CN1NC(=O)C2=C(C=CC=C2)C1=O)NC3CCN(CC4=CC=CC=C4)CC3,29
221808,O=C(NC1=CC=CC=C1)C2=CC=CC=C2,15
237110,S1C=CN=C1N2C=CC=N2,10
222027,O=C(C1=CC=CC=C1)C2=CC=CC=C2,14
238043,O=C1C=CN=C2SCCN12,10
235968,N1C=C2C=CC=NC2=N1,9
239548,O=S(=O)(N1CCCCC1)C2=CC3=C(NCC3)C=C2,18
229552,O=S(=O)(N=C1NOC=C1)C2=CC=CC=C2,15
233748,C1CSC2=NC=CN2C1,9
261910,O=C1OC2CC(CC=CCCC=CC=CC3CCC=CC13)OC4(CCCCO4)C2,29
279013,O=C(NN=C1CCCC2C3C(CCC12)C(=O)NC3=O)OCC4=CC=CC=C4,27
232235,O=C(CC1=CC=CC=C1)NC2=CC=CC=C2,16
252957,C1CN(CCN1C2=NC3=C(NC2)C=CC=C3)C4=CC=CC=C4,22
245718,C1CCC(C1)N2CCN(CC2)C(C3=NNN=N3)C4=CC=CC=C4,23
225151,N=C1C=CC=C2NSN=C12,10
268269,O=C(CC1=CC=CC=C1)NC2=CC(=CC=C2)C3=NC4=C(O3)C=CC=C4,25
274787,O=C1NC2=C(OC3=C2C=CC=C3)C(=O)N1,15
269348,O=C(NC1=CC=CC=C1)NC2=CNC(=O)C3=C2C=CC=C3,21
221647,O=S(=O)(NC1=CC=CC=C1)C2=CC=CC=C2,16
233007,O=C(CN1C=NC2=NNC=C2C1=O)N3CCCCC3,19
261739,C1CCC2CC(=CCC2C1)C3=CC=CC=C3,16
221797,O1N=C2C=CC=CC2=N1,9
221783,C(N1CCNCC1)C2=CC=CC=C2,13
223774,O1C=CC=C1C2=CC=CC=C2,11
229959,C1CC2=C(CO1)SC=C2,9
269664,O=C1NC2=C(C=CS2)C(=O)N1,11
233440,O=C(NCCC1=CC=CC=C1)C2CCCCC2,17
377147,O=C1N(CC2CCN(CCCOCC3=CC4=C(OCO4)C=C3)CC2)C(=O)C5=C6C(C=CC=C16)=CC=C5,36
221647,O=S(=O)(NC1=CC=CC=C1)C2=CC=CC=C2,16
228784,O=C(N1C=CC2=C1C=CC=C2)C3=CC=CC=C3,17
236033,O=C(CSC1=NN=CN1CC2CCCO2)NC3=CC=CS3,21
227815,O1C=NC(=N1)C2=CC=CC=C2,11
278414,O=C(NCCC1=CC=CC=C1)C2=CC(=O)NC3=C2C=CC=C3,22
225214,N1C=CC=C1C2=CC=CC=C2,11
252657,O=C(NC1=CC2=C(OCCO2)C=C1)C3CCCN3,18
274664,O=C(CCS(=O)(=O)C1=CC2=C(NC(=O)CO2)C=C1)NC3CCCCC3,25
423122,O=C1CCSSCC(NC(=O)C2CCCN2C(=O)CNC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)CN=CCNC(=O)CNC(=O)CN1)C=NCCC4=CNC=C4,59
230836,O=S(=O)(N1CCOCC1)C2=CC=CC=C2,15
356828,O=C1NCCC=C1CN(CC2CCCO2)C(=S)NCC3=CC=CO3,24
236796,O=C1CCCN1C2=CC3=C(OCCO3)C=C2,16
273638,O=C(NCCN1N=NC=CC1=O)NC2=CC=CC=C2,19
221684,N1C=NC2=C1C=CC=C2,9
223774,O1C=CC=C1C2=CC=CC=C2,11
270464,O=C(CN1C=CC(=O)N(CCCS(=O)(=O)C2CCCCC2)C1=O)NC3=CC=CC=C3,30
272361,O=C(NCC1=CC=CC=C1)C2=CN(N=C2)C3=CC=CC=C3,21
223615,C(CN1CCCCC1)CC2=CC=CC=C2,15
257090,O=C1OCCC(=C1)C2=CC=CC=C2,13
269715,O=C(CN1C=CC(=O)N(C1=O)C2=CC=CC=C2)NC3=CC=CC=C3,24
260563,O=C1NCCC1=NN2C=NN=C2,12
387514,O=C(CSC1=NC2=C(N1)C=CC=C2)NN=CC3=CC=NC=C3,22
371939,O=C1NCCNN1C2=CC=CS2,12
270766,O=C(NC1=CC=CC=C1)C2=NC=CNC2=O,16
221705,C(N1CCOCC1)C2=CC=CC=C2,13
253076,O=C1NC2=C(SC3=C1C=CC=C3)C=CC=C2,16
237078,N=C1NC=CC2=C1C(=N)NC(=C2)N3CCNCC3,18
224040,C1=CN(N=C1)C2=CC=CC=C2,11
274702,O=C(CSC1=NN=CN2C=CC=C12)NC3=CC=CC=C3,20
230752,O=C1NC(C(=CC2=CC3=C(OCCO3)C=C2)C1=O)C4=CC=CC=C4,24
332255,O=C(CCN1CCCC1)OC2CCNCC2,16
227318,O=C(C1CCNCC1)N2CCOCC2,14
252439,O=C(CSC1=NC=CC(=O)N1C2=CC=CC=C2)N3CCCC3,22
243400,C1CC2=C(CO1)C=NC3=C2C=CO3,13
221735,C1CCC2=C(C1)SC=C2,9
269770,O=C1NC=C(C(=O)N1)C2=CCCCC2,14
230272,C=C1CNC(=O)C1=O,8
223601,O=C1CCC2=C1C=CC=C2,10
229178,O=C1ON=C2C=NC3=C(C=CC=C3)N12,14
222131,O=C1NC(=O)C2=C(N1)C=CC=C2,12
272485,O=C1CNCCCN1CC2=CC=CC=C2,15
374363,O=C(N=C1NN=C(O1)C2=CC=CC=C2)C3=COCCO3,20
240642,O=C1CCS(=O)(=O)CCN1,10
273150,O=S(=O)(C1=C(OC(=N1)C2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5,32
272009,O=S(=O)(N1CCNCC1)C2=CC3=C(NC=C3)C=C2,18
325632,C(OC1=CC=CC=C1)C2=CC=NO2,13
221629,O=C1CC(N2CCNCC2)C(=O)N1,13
238766,O=C1NC2=CC=CCC2=C1,10
229393,O=C(NC1=CC=CC=C1)C=CC2=CC=CC=C2,17
221783,C(N1CCNCC1)C2=CC=CC=C2,13
270185,O=C(CN1C=CC=NC1=O)NCCC2=CC=CC=C2,19
273331,O=C(N=C1NON=C1C2=CC=CC=C2)C3=CC=CC=C3,20
273037,O=C1N(CC2=CC=CC=C2)C3=C(C=CC=C3)C1=O,18
282355,C1CC2(CCCC3C=CCN1C23)C4=CC(=CC=C4)C5CCCNCC(=C5)C6=CC=CC=C6,32
357523,O=C1CCC(CCO1)C2CCC(CC2)C3CCCCC3,20
225171,C(C1CC1)C2=CC=CC=C2,10
242316,O=C(CN1C=NC2=C1C=CC=C2)NC3=CC=CC=C3,19
223841,C1NC1C2=CC=CC=C2,9
273718,C(OC1=CC=CC=C1)C2=CC=C(O2)C3=NC=CO3,18
261546,C(C[N+]1=CN(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4,26
235893,O=C(COC1=CC=CC=C1)NCCC2=CC=CC=C2,19
458817,O=C(NC1CCCC2=NNC=C12)C3=CN=CO3,17
262349,C1CC23C(OC4=C2C=CC=C4)C(CCC3CN1)=NN=C5CCC6C7CC8=C9C(OC5C69CCN7)=CC=C8,37
221684,N1C=NC2=C1C=CC=C2,9
238099,S=C1NC2=C(N1)C=CC=C2,10
335409,O=C(COC(=O)CCCN1C(=O)C2=CC=CC3=CC=CC(C1=O)=C23)NC4=CC=CC=C4,31
226107,O=C1NC2=C(C=CC=C2)C=C1,11
231613,C1CC=C2C(C1)CCCC2C3=CC=CC=C3,16
233689,C=C1CN(CC2=CN=CC=C2)C(=O)C1=O,15
379610,O=C(NC(=CC1=CC=CC=C1)C(=O)N2CCCC2)C3=CC=CC=C3,24
310749,N1N=C(N=C1SC2=NN=NN2C3=CC=CC=C3)C4=CC=NC=C4,23
310354,N=C1NC(COC(=O)CNC(=O)C2=CC=CO2)=NC(N1)=NC3=CC=CC=C3,27
306821,O=C1N(C=NC2=C1C=CS2)C3CCCC3,15
274578,O=C(NCCCN1CCCCC1)C2=CC=C(C=C2)N3C=NC(=C3)C4=CC=CC=C4,29
221389,C1OC2=C(O1)C=CC=C2,9
399464,O=C(CSC1=NN2CCCC(=O)N=C2S1)N=C3NC=CS3,21
485253,O1N=CC=C1C2=CC=CC=C2,11
348893,O=C1NNC(CSC2=NC=CC=C2)=C1,14
316446,O=C(NC1=CN(CC2=CC=CC=C2)N=C1)C3=CNN=C3,20
229869,C1CC(NCN1)C2=CC=CC=C2,12
276176,O=C1CCC2=C3N1CCC3=CC=C2,13
290968,C1CC(=CC=C1)C2=COC=N2,11
465754,O=C(CCNC(=O)C1=CC=CC=C1)NCCC2=CC=CO2,21
223365,O=C(OC1CCC2CC1OC23CCC(C3)C4CCC5CCCCN5C4)C6=CC=CC=C6,31
221619,O=C1OC2=C(C=CC=C2)C=C1,11
272760,O=C(NC1=CC=CC=C1)N2CCC3=C(C2)NC4=C3C=CC=C4,22
269823,N1C=C2C=NC3=C(C=CC=C3)C2=N1,13
321309,O=C(CCC1=CNC2=C1C=CC=C2)NCC3=CC4=C(OCO4)C=C3,24
276377,O=C(OCC1=CC(=O)N2N=CSC2=N1)C3=CC=CC=C3,20
375582,O=C(COC(=O)C1CC2CC1C=C2)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4,30
242400,O=C(NCCC1=CC=CC=C1)C2=CN=CC=C2,17
239520,O=C1N(C=CC2=C1NC3=C2C=CC=C3)C4CCCCC4,20
228081,SC1=NC(=O)C(=C)S1,8
224030,C1CCC(CC1)OC2CCCCO2,13
270481,O=C(CN1C(=O)N(C(=O)C2=C1C=C(C=C2)C(=O)NCC3=CC4=C(OCO4)C=C3)C5=CC=CC=C5)NC6=CC=CC=C6,41
276192,O=C1NN2C=NC=NC2=C1,10
248443,O=C(NC1=CC=CC=C1)C2CN(C3CCCCC3)C(=O)C2,21
330019,C=C1SC2=NC3NC(=O)NC3(NN2C1=O)C4=CC=CC=C4,21
269708,N=C1NN2C(S1)=NC3=C(C=C4OCOC4=C3)C2=O,18
228893,C1CC2=C(C=CC=C2)C(CN1)C3=CC=CC=C3,17
315558,O=C(N1CCCC1)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3,22
226709,C1NC=CC2=C1C=CC=C2,10
223366,O=C(OC1CCC(CC1)C2CC3CCCCC3C2)C4=CC=CC=C4,24
307169,C(SC1=NC(=NN1)C2=CC=CC=C2)C3=CNC=N3,18
234186,O=C(CSC1=NN=CO1)N2CCCC2,14
239280,O=C(NC1=CSC=C1)C2=CC=CS2,13
237398,C1COC2=C(OC1)C=CC=C2,11
229993,O=C1N(CNC2=C1C3=C(CNCC3)S2)C4=CC=CC=C4,20
221658,O=S(=O)(N1CCNCC1)C2=CC=CC=C2,15
527658,O=S1(=O)CCSCCN1,9
243963,O=C1NC=CC(N1)=NC2=CC=CC=C2,14
248833,O=C(N=C1NC=CS1)C2CCCCC2,14
221799,N1C=CC(=N1)C2=CC=CC=C2,11
373360,C(CSC1=CC=CC=C1)OCCN2CCCCC2,18
272358,O=C(CN1N=CN2C(=CC3=C2C=CC=C3)C1=O)NC4=CC=CC=C4,24
254139,O=C1CCC(NC2=CC3=C(OCCO3)C=C2)N1CC4=CC=CO4,23
336223,O=C(COC1=CC2=C(C=C1)C(=O)C=CO2)NC3=CC=CC=C3,22
236459,O=C(NCCCN1CCCC1=O)C2=CC=CC=C2,18
221595,C1CCN(C1)C2=CC=CC=C2,11
230328,C1SC2=NN=CN2N=C1C3=CC=CC=C3,15
237320,O=C(N1CCNCC1)C2=CNN=C2,13
226284,C1NN(N=C1)C2=CC=CC=C2,11
278264,C1CN(CCN1C2=CC=CC=C2)C3=NC=NC4=C3C(=CN4C5=CC=CC=C5)C6=CC=CC=C6,33
269772,O=C1NC2=C(C3=C(CCCC3)S2)C(=O)N1C4=CC=CC=C4,21
221433,C1CN(CCN1)C2=NC=NC=C2,12
221783,C(N1CCNCC1)C2=CC=CC=C2,13
242587,N=C1N=CN=C2N(CC3=CC=CC=C3)NC=C12,17
230446,O=C1NC=CC(=O)N1C2=CC=CC=C2,14
306716,O=C(CC1=CN2C=CSC2=N1)N=C3NC4=C(CCCC4)S3,21
234627,C(N1C=NN=C1C2=CC=CC=C2)C3=CC=CO3,17
249850,O=S1(=O)CCC(OC2=CC=CC=C2)=N1,14
334959,O=C(NCC1=NN=CN1C2=CC=CC=C2)C3CCCCC3,21
233359,O=C(CSC1=NC(=O)C=CN1)NC2=CC3=C(CCC3)C=C2,21
331183,O1N=C2N=C(C3=CC=CC=C3)C(=NC2=N1)C4=CC=CC=C4,21
227807,O=C1NCCN1C2CCN(CCCN3C=CNC3=O)CC2,21
239191,O=C1CCOC2(CCNCC2)C1,12
268177,O=C(NC1=CC=C(C=C1)C2=NC=CS2)C3=CC=CC=C3,20
501472,N(C1=CC=CC=C1)C2=C3C=CC=CC3=CC=N2,17
221754,O=C(NCC1=CC=CC=C1)C2=CC=CC=C2,16
270695,C(NC1=CC=CC=C1)C2=C(C=CC=C2)C3=NN=C(O3)C4=CC=CC=C4,25
351062,O=C(NC1=CC=CS1)C2=CC(=NCC2)C3=CC=CC=C3,20
436043,N=C1NC2=C(CCCCC2)C(=C1)C3=CC=CS3,17
226613,C1CCCCCCC1,8
232781,O=C(N1CCCCC1)N2CCOCC2,14
268184,O=C(CNS(=O)(=O)C1=CC=CC=C1)NCCSC2=CC=CC=C2,23
229034,C1CCCN(CC1)C2=CC=CC=C2,13
226107,O=C1NC2=C(C=CC=C2)C=C1,11
221344,N=C1NC=NC2=C1C=CC=C2,11
387241,O=C(COC1=CC=CC=C1)NC2=CC=C(C=C2)S(=O)(=O)N=C3NN=CS3,26
232090,S1C=NC(=C1)C2=CC=CC=C2,11
239279,N=C1N(NC2=C1CSC2)C3=CC=CC=C3,15
278023,O=C(CN1N=C(N=C(CC2=CC=CC=C2)C1=O)C3=CC=CC=C3)NC4=CC=CC=C4,30
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