smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCOCNC(=O)NCCO	217311114	571937922	/nfs/dbraw/zinc/93/79/22/571937922.db2.gz	PQKNDYFHLAKMMX-UHFFFAOYSA-N	0	0	192.215	-1.102	10	70		AAIERN
C[C@H](O)[C@H](O)[SiH3]	238421341	573510695	/nfs/dbraw/zinc/51/06/95/573510695.db2.gz	HYZJLZJNOZFIPY-STHAYSLISA-N	0	0	106.197	-1.949	10	70		AAIERN
C[SiH](C#CCO)C#CCO	238510322	573771930	/nfs/dbraw/zinc/77/19/30/573771930.db2.gz	PEUQKKFPXVJYHZ-UHFFFAOYSA-N	0	0	154.241	-1.087	10	70		AAIERN
CCSC[C@H](O)[C@H](O)[C@H](O)CO	217403075	573906008	/nfs/dbraw/zinc/90/60/08/573906008.db2.gz	GJCXGDMHAPQQBZ-DSYKOEDSSA-N	0	0	196.268	-1.186	10	70		AAIERN
CC(=O)NCC(=O)OCC(N)=O	218177144	166272375	/nfs/dbraw/zinc/27/23/75/166272375.db2.gz	YYTPHYQWFMEUFS-UHFFFAOYSA-N	0	0	174.156	-1.849	10	70		AAIERN
CN1CC[C@@]2(C1)OC(N)=NC2=O	160715214	344175690	/nfs/dbraw/zinc/17/56/90/344175690.db2.gz	AQAIIYXNAQYNNW-ZETCQYMHSA-N	0	0	169.184	-1.068	10	70		AAIERN
NC(=O)NCCn1ccnn1	159612342	344149309	/nfs/dbraw/zinc/14/93/09/344149309.db2.gz	LLUGWDCTEGXDSS-UHFFFAOYSA-N	0	0	155.161	-1.054	10	70		AAIERN
Cn1nnnc1NCCn1ccnn1	159623251	344149398	/nfs/dbraw/zinc/14/93/98/344149398.db2.gz	HLDVDFNNLYRYPL-UHFFFAOYSA-N	0	0	194.202	-1.086	10	70		AAIERN
CNC(=O)N1CC(=O)NC(=O)C1	160333830	344162467	/nfs/dbraw/zinc/16/24/67/344162467.db2.gz	PGISXHIJANWWEU-UHFFFAOYSA-N	0	0	171.156	-1.716	10	70		AAIERN
CN1CC[C@]2(C1)OC(N)=NC2=O	160715082	344175281	/nfs/dbraw/zinc/17/52/81/344175281.db2.gz	AQAIIYXNAQYNNW-SSDOTTSWSA-N	0	0	169.184	-1.068	10	70		AAIERN
CNS(=O)(=O)NCc1cn[nH]c1	160770544	344176940	/nfs/dbraw/zinc/17/69/40/344176940.db2.gz	GIZOMGUNZBXXIS-UHFFFAOYSA-N	0	0	190.228	-1.037	10	70		AAIERN
N#CNCCNC(N)=O	161173747	344186332	/nfs/dbraw/zinc/18/63/32/344186332.db2.gz	UKZSKNHLTHRXEW-UHFFFAOYSA-N	0	0	128.135	-1.275	10	70		AAIERN
CNC(=O)NOCC(N)=O	161484281	344191776	/nfs/dbraw/zinc/19/17/76/344191776.db2.gz	QOCVPTBLAATTAD-UHFFFAOYSA-N	0	0	147.134	-1.668	10	70		AAIERN
CC(=O)N[SiH3]	201178805	344364895	/nfs/dbraw/zinc/36/48/95/344364895.db2.gz	BTQLZQAVGBUMOG-UHFFFAOYSA-N	0	0	89.170	-1.597	10	70		AAIERN
CNC(=O)Cn1c(=O)cc[nH]c1=O	218675672	344414696	/nfs/dbraw/zinc/41/46/96/344414696.db2.gz	ZEUFVEDODMBYTD-UHFFFAOYSA-N	0	0	183.167	-1.717	10	70		AAIERN
NC(=O)Cn1c(=O)cc[nH]c1=O	218679411	344414798	/nfs/dbraw/zinc/41/47/98/344414798.db2.gz	NCMRXDZRXPAZFW-UHFFFAOYSA-N	0	0	169.140	-1.978	10	70		AAIERN
Cn1cnc(CNC(N)=O)n1	218731806	344415668	/nfs/dbraw/zinc/41/56/68/344415668.db2.gz	RUDXFSDFNOXLON-UHFFFAOYSA-N	0	0	155.161	-1.017	10	70		AAIERN
[SiH3]N([SiH3])c1ccccn1	584607869	346724034	/nfs/dbraw/zinc/72/40/34/346724034.db2.gz	MXCIGCPAZPFOQH-UHFFFAOYSA-N	0	0	154.321	-1.551	10	70		AAIERN
[SiH3]N([SiH3])N1CCCCC1	584644701	346740407	/nfs/dbraw/zinc/74/04/07/346740407.db2.gz	VTTFPQWRIHSXAW-UHFFFAOYSA-N	0	0	160.369	-1.750	10	70		AAIERN
[SiH3]N([SiH3])n1cccc1	584644679	346740441	/nfs/dbraw/zinc/74/04/41/346740441.db2.gz	SDHAPYGDVGDFTF-UHFFFAOYSA-N	0	0	142.310	-2.013	10	70		AAIERN
[SiH3]N([SiH3])c1ncccn1	584644700	346740576	/nfs/dbraw/zinc/74/05/76/346740576.db2.gz	VRLFGPGJGCRVSN-UHFFFAOYSA-N	0	0	155.309	-2.156	10	70		AAIERN
COC(=O)CCNS(N)(=O)=O	160787743	375397114	/nfs/dbraw/zinc/39/71/14/375397114.db2.gz	RPAVJEXQKXTHHR-UHFFFAOYSA-N	0	0	182.201	-1.657	10	70		AAIERN
C[C@H](O)[C@@H](O)[SiH3]	238472437	573658334	/nfs/dbraw/zinc/65/83/34/573658334.db2.gz	HYZJLZJNOZFIPY-HRFVKAFMSA-N	0	0	106.197	-1.949	10	70		AAIERN
O=C(Cn1cnnn1)OCCO	218333150	573806557	/nfs/dbraw/zinc/80/65/57/573806557.db2.gz	NWNZPIYYSAEAIW-UHFFFAOYSA-N	0	0	172.144	-1.791	10	70		AAIERN
CCS(=O)(=O)[C@@H](N)CO	217454965	573910758	/nfs/dbraw/zinc/91/07/58/573910758.db2.gz	GJROQGBPJWZBED-SCSAIBSYSA-N	0	0	153.203	-1.302	10	70		AAIERN
CCCN(CCO)S(N)(=O)=O	161019870	574041425	/nfs/dbraw/zinc/04/14/25/574041425.db2.gz	WFZLKOFYKZJCSZ-UHFFFAOYSA-N	0	0	182.245	-1.106	10	70		AAIERN
Cn1ncnc1C[NH+]=c1nn[n-]n1C	885671031	1428605407	/nfs/dbraw/zinc/60/54/07/1428605407.db2.gz	SYEBJOFSWPXRQH-UHFFFAOYSA-N	0	0	193.194	-1.432	10	70		AAIERN