smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCC(=O)C(C)C	ZINC000001589694	171162672	/nfs/dbraw/zinc/16/26/72/171162672.db2.gz	NBWLKCHXMMMNLN-UHFFFAOYSA-N	0	0	198.350	4.352	40	30		AIEBRN
CCCCCCCC(=O)CCCC	ZINC000001606046	342951541	/nfs/dbraw/zinc/95/15/41/342951541.db2.gz	DOXYUCZSYSEALW-UHFFFAOYSA-N	0	0	184.323	4.106	40	30		AIEBRN
CCC(CC)(CC#N)C1CCCCC1	ZINC000001680301	342957544	/nfs/dbraw/zinc/95/75/44/342957544.db2.gz	JUODIIQKBMSYQV-UHFFFAOYSA-N	0	0	193.334	4.287	40	30		AIEBRN
C=C(C)[C@]1(C)CCC(C)=C(C)C1	ZINC000001699446	166132220	/nfs/dbraw/zinc/13/22/20/166132220.db2.gz	HNXIHAQWIOOZSF-GFCCVEGCSA-N	0	0	164.292	4.089	40	30		AIEBRN
C=CC/C=C/CCCCCC	ZINC000001765432	166160808	/nfs/dbraw/zinc/16/08/08/166160808.db2.gz	KHZYHTLTISWFGH-VQHVLOKHSA-N	0	0	152.281	4.089	40	30	endogenous,in-man	AIEBRN
C=CC/C(=C/CCC)CCC	ZINC000001765434	166161440	/nfs/dbraw/zinc/16/14/40/166161440.db2.gz	HEOASUVCRLYIPS-KHPPLWFESA-N	0	0	152.281	4.089	40	30		AIEBRN
C=COCCCCCCCCCC	ZINC000002031156	166212239	/nfs/dbraw/zinc/21/22/39/166212239.db2.gz	NSOAQRMLVFRWIT-UHFFFAOYSA-N	0	0	184.323	4.287	40	30		AIEBRN
C=CC/C(=C\CCC)CCC	ZINC000002032413	166161803	/nfs/dbraw/zinc/16/18/03/166161803.db2.gz	HEOASUVCRLYIPS-ZHACJKMWSA-N	0	0	152.281	4.089	40	30		AIEBRN
CCCCCCCCCCCF	ZINC000002040414	171004036	/nfs/dbraw/zinc/00/40/36/171004036.db2.gz	AVLPWAZGPFCYGZ-UHFFFAOYSA-N	0	0	174.303	4.487	40	30		AIEBRN
CCCCCCCCCSC	ZINC000002389884	171005702	/nfs/dbraw/zinc/00/57/02/171005702.db2.gz	FCRSULZJMFDBIK-UHFFFAOYSA-N	0	0	174.353	4.100	40	30		AIEBRN
CCCCCCCc1cccs1	ZINC000002389929	342972335	/nfs/dbraw/zinc/97/23/35/342972335.db2.gz	FGGZOCMVJAJPMH-UHFFFAOYSA-N	0	0	182.332	4.261	40	30		AIEBRN
CCCCCCCc1ccsc1	ZINC000002504569	166851426	/nfs/dbraw/zinc/85/14/26/166851426.db2.gz	IUUMHORDQCAXQU-UHFFFAOYSA-N	0	0	182.332	4.261	40	30		AIEBRN
C=CCCCCCCCC=C	ZINC000002522763	171156083	/nfs/dbraw/zinc/15/60/83/171156083.db2.gz	VOSLXTGMYNYCPW-UHFFFAOYSA-N	0	0	152.281	4.089	40	30		AIEBRN
CCCCCCCC/C=C/CCCO	ZINC000002560248	171214896	/nfs/dbraw/zinc/21/48/96/171214896.db2.gz	HURQIANFCDWJNE-MDZDMXLPSA-N	0	0	198.350	4.066	40	30		AIEBRN
CCCCCCCCCC/C=C/CO	ZINC000002560462	171007417	/nfs/dbraw/zinc/00/74/17/171007417.db2.gz	VPYJHNADOJDSGU-VAWYXSNFSA-N	0	0	198.350	4.066	40	30	biogenic,in-vitro	AIEBRN
CCC#CCCCCCCC#CCC	ZINC000002579213	528276513	/nfs/dbraw/zinc/27/65/13/528276513.db2.gz	GWEORXAUXMNRCT-UHFFFAOYSA-N	0	0	190.330	4.154	40	30		AIEBRN
CCCCC#CCCC#CCCCC	ZINC000002579226	342978415	/nfs/dbraw/zinc/97/84/15/342978415.db2.gz	MYMVMGJYNYKGGP-UHFFFAOYSA-N	0	0	190.330	4.154	40	30		AIEBRN
CCCCCCC#Cc1ccccc1	ZINC000002579230	171008350	/nfs/dbraw/zinc/00/83/50/171008350.db2.gz	YVCYLGYUDUYFQZ-UHFFFAOYSA-N	0	0	186.298	4.009	40	30		AIEBRN
c1ccc(N=C2CCCCCC2)cc1	ZINC000005048614	351338044	/nfs/dbraw/zinc/33/80/44/351338044.db2.gz	WGYLIQDLSUMIDK-UHFFFAOYSA-N	0	0	187.286	4.113	40	30		AIEBRN
C1CCCCC[C@H]2O[C@H]2CCCCC1	ZINC000005226240	166089550	/nfs/dbraw/zinc/08/95/50/166089550.db2.gz	YHSDGOIFCWSQJL-BETUJISGSA-N	0	0	196.334	4.059	40	30		AIEBRN
C1CCCCC[C@@H]2O[C@H]2CCCCC1	ZINC000005226243	166089333	/nfs/dbraw/zinc/08/93/33/166089333.db2.gz	YHSDGOIFCWSQJL-STQMWFEESA-N	0	0	196.334	4.059	40	30		AIEBRN
C1CCCCC[C@H]2O[C@@H]2CCCCC1	ZINC000005226246	166090122	/nfs/dbraw/zinc/09/01/22/166090122.db2.gz	YHSDGOIFCWSQJL-CHWSQXEVSA-N	0	0	196.334	4.059	40	30		AIEBRN
C=C(C)[C@@]1(C)CCC(C)=C(C)C1	ZINC000090373670	166129511	/nfs/dbraw/zinc/12/95/11/166129511.db2.gz	HNXIHAQWIOOZSF-LBPRGKRZSA-N	0	0	164.292	4.089	40	30		AIEBRN
C=C(Cl)Cc1cccc(C(C)C)c1	ZINC000095727328	166140011	/nfs/dbraw/zinc/14/00/11/166140011.db2.gz	BMPCZUYGPFYLSE-UHFFFAOYSA-N	0	0	194.705	4.105	40	30		AIEBRN
C=C(Cl)CCCCc1ccccc1	ZINC000095727337	166135971	/nfs/dbraw/zinc/13/59/71/166135971.db2.gz	JPTXYQAGGOFBNX-UHFFFAOYSA-N	0	0	194.705	4.152	40	30		AIEBRN
C=CCSc1ccccc1C(C)C	ZINC000095738578	166198316	/nfs/dbraw/zinc/19/83/16/166198316.db2.gz	UBUPZPUJUCZPKX-UHFFFAOYSA-N	0	0	192.327	4.088	40	30		AIEBRN
C=CCc1cccc(-c2ccccc2)c1	ZINC000095902333	166208502	/nfs/dbraw/zinc/20/85/02/166208502.db2.gz	ZGXIJEJMSSAUGS-UHFFFAOYSA-N	0	0	194.277	4.082	40	30		AIEBRN
CCCCCCCCCC/C=C\CO	ZINC000100022343	171143426	/nfs/dbraw/zinc/14/34/26/171143426.db2.gz	VPYJHNADOJDSGU-QXMHVHEDSA-N	0	0	198.350	4.066	40	30		AIEBRN
CCCCCCCCCCOCC	ZINC000100312334	343715422	/nfs/dbraw/zinc/71/54/22/343715422.db2.gz	LOLANUHFGPZTLQ-UHFFFAOYSA-N	0	0	186.339	4.164	40	30		AIEBRN
CCCCCCCC/C=C\CCCO	ZINC000103836202	171215704	/nfs/dbraw/zinc/21/57/04/171215704.db2.gz	HURQIANFCDWJNE-KTKRTIGZSA-N	0	0	198.350	4.066	40	30		AIEBRN
C=CC/C=C\CCCCCC	ZINC000104186250	166161908	/nfs/dbraw/zinc/16/19/08/166161908.db2.gz	KHZYHTLTISWFGH-CLFYSBASSA-N	0	0	152.281	4.089	40	30		AIEBRN
CCCCCCC[Si](C)(C)C	ZINC000195760985	344354873	/nfs/dbraw/zinc/35/48/73/344354873.db2.gz	VESIOSADLGPJFM-UHFFFAOYSA-N	0	0	172.388	4.295	40	30		AIEBRN
C=C(CCCCC)[Si](C)(C)C	ZINC000196132224	166133948	/nfs/dbraw/zinc/13/39/48/166133948.db2.gz	HIOQZNAQZFUFBI-UHFFFAOYSA-N	0	0	170.372	4.000	40	30		AIEBRN