smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O[C@@H](CF)C(F)(F)F	34108028	572055147	/nfs/dbraw/zinc/05/51/47/572055147.db2.gz	RGXJJVWBAZLFFJ-REOHCLBHSA-N	0	0	132.056	0.879	30	0		ACACRN
CO[C@H]([C@@H]1CCC[NH2+]1)[C@@H](C)C(=O)[O-]	146125593	573792936	/nfs/dbraw/zinc/79/29/36/573792936.db2.gz	ZGUZUQVQUIZGGC-CSMHCCOUSA-N	0	0	187.239	0.474	30	0		ACACRN
CO[C@H]([C@@H]1CCC[NH2+]1)[C@H](C)C(=O)[O-]	146125801	573793700	/nfs/dbraw/zinc/79/37/00/573793700.db2.gz	ZGUZUQVQUIZGGC-FXQIFTODSA-N	0	0	187.239	0.474	30	0		ACACRN
O[C@H](CF)C(F)(F)F	34108029	572054404	/nfs/dbraw/zinc/05/44/04/572054404.db2.gz	RGXJJVWBAZLFFJ-UWTATZPHSA-N	0	0	132.056	0.879	30	0		ACACRN
CNC(=O)c1cc2ccccn2n1	40785770	572869931	/nfs/dbraw/zinc/86/99/31/572869931.db2.gz	CBXVGNCNNHPPGR-UHFFFAOYSA-N	0	0	175.191	0.694	30	0		ACACRN
CN(C)C(=O)C(F)F	113541889	573010009	/nfs/dbraw/zinc/01/00/09/573010009.db2.gz	IUEWOPMXNADAEB-UHFFFAOYSA-N	0	0	123.102	0.340	30	0		ACACRN
CO[C@@H]([C@H](C)C(=O)[O-])[C@H]1CCC[NH2+]1	146126166	573796706	/nfs/dbraw/zinc/79/67/06/573796706.db2.gz	ZGUZUQVQUIZGGC-RNJXMRFFSA-N	0	0	187.239	0.474	30	0		ACACRN
CO[C@H]([C@H]1CCC[NH2+]1)[C@@H](C)C(=O)[O-]	146125978	573797448	/nfs/dbraw/zinc/79/74/48/573797448.db2.gz	ZGUZUQVQUIZGGC-PRJMDXOYSA-N	0	0	187.239	0.474	30	0		ACACRN
COC(=O)[C@@H](C)[C@@H]1CCOC1	215535057	573900083	/nfs/dbraw/zinc/90/00/83/573900083.db2.gz	TVXUSAHBXVRWEH-NKWVEPMBSA-N	0	0	158.197	0.832	30	0		ACACRN
CC(=O)C(F)=C(C)O	100038524	166235689	/nfs/dbraw/zinc/23/56/89/166235689.db2.gz	LELFVORHOKZNGY-UHFFFAOYSA-N	0	0	118.107	0.503	30	0		ACACRN
CCCNC(=O)CCOC	69606182	166978360	/nfs/dbraw/zinc/97/83/60/166978360.db2.gz	GRRXRLWKPGEZKZ-UHFFFAOYSA-N	0	0	145.202	0.549	30	0		ACACRN
CCN(CC)C(=O)[C@@H](F)C(C)=O	100526877	167161102	/nfs/dbraw/zinc/16/11/02/167161102.db2.gz	PYFOYALCVZJDTO-ZETCQYMHSA-N	0	0	175.203	0.782	30	0		ACACRN
CCN(CC)C(=O)[C@H](F)C(C)=O	100526873	167164508	/nfs/dbraw/zinc/16/45/08/167164508.db2.gz	PYFOYALCVZJDTO-SSDOTTSWSA-N	0	0	175.203	0.782	30	0		ACACRN
CCN(CC)S(=O)(=O)NC(C)C	62093841	167169954	/nfs/dbraw/zinc/16/99/54/167169954.db2.gz	BMPLKMYSNOSSGG-UHFFFAOYSA-N	0	0	194.300	0.571	30	0		ACACRN
CCOC(=O)CCCOC	14444668	167329106	/nfs/dbraw/zinc/32/91/06/167329106.db2.gz	UVDARLMCNXCOGS-UHFFFAOYSA-N	0	0	146.186	0.976	30	0		ACACRN
CCOC(=O)CS(=O)(=O)C(C)C	37684807	167334977	/nfs/dbraw/zinc/33/49/77/167334977.db2.gz	IAEPMZWGBVWBFO-UHFFFAOYSA-N	0	0	194.252	0.373	30	0		ACACRN
CCOC(=O)c1cc(OC)cnc1N	95931469	167368556	/nfs/dbraw/zinc/36/85/56/167368556.db2.gz	VZUZIPKUCLBVEZ-UHFFFAOYSA-N	0	0	196.206	0.849	30	0		ACACRN
COC(=O)C[C@@H](C)N1CCOCC1	34465133	168094607	/nfs/dbraw/zinc/09/46/07/168094607.db2.gz	ADWBNEMUIBKAJC-MRVPVSSYSA-N	0	0	187.239	0.270	30	0		ACACRN
COC(=O)C[C@H](C)N1CCOCC1	34465131	168096220	/nfs/dbraw/zinc/09/62/20/168096220.db2.gz	ADWBNEMUIBKAJC-QMMMGPOBSA-N	0	0	187.239	0.270	30	0		ACACRN
CO[C@H]1C[C@H](O)C[C@@H](OC)C1	238853836	168221110	/nfs/dbraw/zinc/22/11/10/168221110.db2.gz	LGSMLWJSCSQCNV-WHUPJOBBSA-N	0	0	160.213	0.561	30	0	in-vitro	ACACRN
FC(F)(F)c1cn[nH]n1	85344459	169072272	/nfs/dbraw/zinc/07/22/72/169072272.db2.gz	DIBFBUQGVMZWTM-UHFFFAOYSA-N	0	0	137.064	0.824	30	0		ACACRN
Nc1nc(Cl)cnc1C=O	79052117	169305244	/nfs/dbraw/zinc/30/52/44/169305244.db2.gz	JZAIIAXTVGCHJM-UHFFFAOYSA-N	0	0	157.560	0.525	30	0		ACACRN
CC(C)NS(=O)(=O)N1CCCC1	62063793	343370194	/nfs/dbraw/zinc/37/01/94/343370194.db2.gz	RUHWAWJHPSIVNG-UHFFFAOYSA-N	0	0	192.284	0.325	30	0		ACACRN
CCOC(=O)c1nc2c(o1)CNC2	238298278	344799463	/nfs/dbraw/zinc/79/94/63/344799463.db2.gz	AKIRFRIMCOPEQA-UHFFFAOYSA-N	0	0	182.179	0.455	30	0		ACACRN
O=C1CCN(c2ncccn2)C1	238596692	351822734	/nfs/dbraw/zinc/82/27/34/351822734.db2.gz	CTIGGCZQCFQABR-UHFFFAOYSA-N	0	0	163.180	0.256	30	0		ACACRN
O=C1COC2(CCC2)CN1	258601770	351864865	/nfs/dbraw/zinc/86/48/65/351864865.db2.gz	UZVWYTQUEOMWSN-UHFFFAOYSA-N	0	0	141.170	0.056	30	0		ACACRN
COC(=O)[C@@H](C)[C@H]1CCOC1	215535141	573570131	/nfs/dbraw/zinc/57/01/31/573570131.db2.gz	TVXUSAHBXVRWEH-BQBZGAKWSA-N	0	0	158.197	0.832	30	0		ACACRN
COC(=O)[C@H](C)[C@@H]1CCOC1	215535102	573573662	/nfs/dbraw/zinc/57/36/62/573573662.db2.gz	TVXUSAHBXVRWEH-RNFRBKRXSA-N	0	0	158.197	0.832	30	0		ACACRN