smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)cc1F	ZINC001164726490	720390110	/nfs/dbraw/zinc/39/01/10/720390110.db2.gz	OVJPZFXQAQEIQW-NHCUHLMSSA-N	0	3	434.906	4.056	20	30		IIEDHN
N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1	ZINC001164836298	720737575	/nfs/dbraw/zinc/73/75/75/720737575.db2.gz	CZCKPRIWZQUIAN-UHFFFAOYSA-N	0	3	441.313	4.054	20	30		IIEDHN
C[Si](C)(C)C#Cc1cccnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1	ZINC001164904348	721714371	/nfs/dbraw/zinc/71/43/71/721714371.db2.gz	BZYFPFBBLUMYRO-HSZRJFAPSA-N	0	3	440.614	4.443	20	30		IIEDHN
Cc1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(C#N)c(Cl)c2c1	ZINC001164971625	722158673	/nfs/dbraw/zinc/15/86/73/722158673.db2.gz	CJLJGLMEONSYCP-WMZHIEFXSA-N	0	3	447.970	4.191	20	30		IIEDHN
N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164908036	721566887	/nfs/dbraw/zinc/56/68/87/721566887.db2.gz	PKGRREKDRCUVLJ-SJLPKXTDSA-N	0	3	440.881	4.380	20	30		IIEDHN
C[Si](C)(C)C#Cc1ccnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1	ZINC001164910650	721736071	/nfs/dbraw/zinc/73/60/71/721736071.db2.gz	HKRWCWBRZIYHEY-QHCPKHFHSA-N	0	3	440.614	4.443	20	30		IIEDHN
Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12	ZINC001164972772	722159087	/nfs/dbraw/zinc/15/90/87/722159087.db2.gz	JOKODPDEHRDDHV-DENIHFKCSA-N	0	3	447.970	4.191	20	30		IIEDHN
C[C@@](CO)(Cc1ccc(Br)cc1)NCc1ccc(C#N)cc1OC(F)F	ZINC001308118398	1126164074	/nfs/dbraw/zinc/16/40/74/1126164074.db2.gz	SKADOZVAJIHTRN-IBGZPJMESA-N	0	3	425.273	4.005	20	30		IIEDHN
N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)cc1F	ZINC001164726491	720389730	/nfs/dbraw/zinc/38/97/30/720389730.db2.gz	OVJPZFXQAQEIQW-RTWAWAEBSA-N	0	3	434.906	4.056	20	30		IIEDHN
Cn1cc(CN2CC[C@@H]3CN(c4c(C#N)c(Cl)nc5cccc(Cl)c54)C[C@@H]3C2)cn1	ZINC001164760207	721250724	/nfs/dbraw/zinc/25/07/24/721250724.db2.gz	DDELIANSQSGTBJ-CVEARBPZSA-N	0	3	441.366	4.105	20	30		IIEDHN
N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164908037	721567160	/nfs/dbraw/zinc/56/71/60/721567160.db2.gz	PKGRREKDRCUVLJ-WMZOPIPTSA-N	0	3	440.881	4.380	20	30		IIEDHN
Cc1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(C#N)c(Cl)c2c1	ZINC001164971627	722159216	/nfs/dbraw/zinc/15/92/16/722159216.db2.gz	CJLJGLMEONSYCP-XXBNENTESA-N	0	3	447.970	4.191	20	30		IIEDHN
Cn1cc(CN2CC[C@H]3CN(c4c(C#N)c(Cl)nc5cccc(Cl)c54)C[C@H]3C2)cn1	ZINC001164760210	721250264	/nfs/dbraw/zinc/25/02/64/721250264.db2.gz	DDELIANSQSGTBJ-JKSUJKDBSA-N	0	3	441.366	4.105	20	30		IIEDHN
Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12	ZINC001164972781	722159122	/nfs/dbraw/zinc/15/91/22/722159122.db2.gz	JOKODPDEHRDDHV-UGKGYDQZSA-N	0	3	447.970	4.191	20	30		IIEDHN
N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)cc1F	ZINC001164726492	720389404	/nfs/dbraw/zinc/38/94/04/720389404.db2.gz	OVJPZFXQAQEIQW-SFTDATJTSA-N	0	3	434.906	4.056	20	30		IIEDHN
C[C@](CO)(Cc1ccc(Br)cc1)NCc1ccc(C#N)cc1OC(F)F	ZINC001308118399	1126164180	/nfs/dbraw/zinc/16/41/80/1126164180.db2.gz	SKADOZVAJIHTRN-LJQANCHMSA-N	0	3	425.273	4.005	20	30		IIEDHN
N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164908034	721567353	/nfs/dbraw/zinc/56/73/53/721567353.db2.gz	PKGRREKDRCUVLJ-AEFFLSMTSA-N	0	3	440.881	4.380	20	30		IIEDHN
Cc1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(C#N)c(Cl)c2c1	ZINC001164971621	722158889	/nfs/dbraw/zinc/15/88/89/722158889.db2.gz	CJLJGLMEONSYCP-AUSIDOKSSA-N	0	3	447.970	4.191	20	30		IIEDHN
Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12	ZINC001164972779	722158655	/nfs/dbraw/zinc/15/86/55/722158655.db2.gz	JOKODPDEHRDDHV-SIKLNZKXSA-N	0	3	447.970	4.191	20	30		IIEDHN
C[Si](C)(C)C#Cc1cccnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1	ZINC001164904349	721713817	/nfs/dbraw/zinc/71/38/17/721713817.db2.gz	BZYFPFBBLUMYRO-QHCPKHFHSA-N	0	3	440.614	4.443	20	30		IIEDHN
Cn1cc(CN2CC[C@H]3CN(c4c(C#N)c(Cl)nc5cccc(Cl)c54)C[C@@H]3C2)cn1	ZINC001164760208	721250828	/nfs/dbraw/zinc/25/08/28/721250828.db2.gz	DDELIANSQSGTBJ-HOTGVXAUSA-N	0	3	441.366	4.105	20	30		IIEDHN
Cn1cc(CN2CC[C@@H]3CN(c4c(C#N)c(Cl)nc5cccc(Cl)c54)C[C@H]3C2)cn1	ZINC001164760209	721250347	/nfs/dbraw/zinc/25/03/47/721250347.db2.gz	DDELIANSQSGTBJ-HZPDHXFCSA-N	0	3	441.366	4.105	20	30		IIEDHN
N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164908035	721567015	/nfs/dbraw/zinc/56/70/15/721567015.db2.gz	PKGRREKDRCUVLJ-FUHWJXTLSA-N	0	3	440.881	4.380	20	30		IIEDHN
Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12	ZINC001164972776	722159105	/nfs/dbraw/zinc/15/91/05/722159105.db2.gz	JOKODPDEHRDDHV-KNQAVFIVSA-N	0	3	447.970	4.191	20	30		IIEDHN
Cc1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(C#C[Si](C)(C)C)c1	ZINC001164962209	722058137	/nfs/dbraw/zinc/05/81/37/722058137.db2.gz	PYPFNRZHENYZJC-UHFFFAOYSA-N	0	3	448.687	4.133	20	30		IIEDHN
Cc1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(C#N)c(Cl)c2c1	ZINC001164971623	722158955	/nfs/dbraw/zinc/15/89/55/722158955.db2.gz	CJLJGLMEONSYCP-CVDCTZTESA-N	0	3	447.970	4.191	20	30		IIEDHN
N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1F	ZINC001164726488	720389686	/nfs/dbraw/zinc/38/96/86/720389686.db2.gz	OVJPZFXQAQEIQW-LEWJYISDSA-N	0	3	434.906	4.056	20	30		IIEDHN
C[Si](C)(C)C#Cc1ccnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1	ZINC001164910649	721736157	/nfs/dbraw/zinc/73/61/57/721736157.db2.gz	HKRWCWBRZIYHEY-HSZRJFAPSA-N	0	3	440.614	4.443	20	30		IIEDHN