smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](O)c1ccc(/N=C/c2ccccc2O)cc1	ZINC000006412583	170199549	/nfs/dbraw/zinc/19/95/49/170199549.db2.gz	LMYDDUSTKCNFEN-QAEAHILHSA-N	0	3	255.317	3.586	1	30		CHEFHN
CCCCCCCCCCCCCC[C@H]1N[C@@H](CO)[C@H]1O	ZINC000043574668	175069226	/nfs/dbraw/zinc/06/92/26/175069226.db2.gz	VJAWFIMGECOXKZ-SQNIBIBYSA-N	0	3	299.499	3.771	1	30		CHEFHN
CCCCN(CC)CC#CC#Cc1ccc(Cl)cc1	ZINC000103242472	185818894	/nfs/dbraw/zinc/81/88/94/185818894.db2.gz	MWUIPCMAANJBDH-UHFFFAOYSA-N	0	3	273.807	3.817	1	30		CHEFHN
CCCCCCCCCCCCCC[C@@H]1N[C@H](CO)[C@@H]1O	ZINC000043574777	175069243	/nfs/dbraw/zinc/06/92/43/175069243.db2.gz	VJAWFIMGECOXKZ-RCCFBDPRSA-N	0	3	299.499	3.771	1	30		CHEFHN
C=C1CCC([N+](=O)[O-])[C@](C)(N=O)CC[C@@H]2[C@H]1CC2(C)C	ZINC000005741647	170135925	/nfs/dbraw/zinc/13/59/25/170135925.db2.gz	IXMGPRFXGAEAOT-SFDCQRBFSA-N	0	3	280.368	3.949	1	30		CHEFHN
CC[C@@H](c1ccccc1)C1C(=O)O[C@@H]2CCC[C@@H]2C1=O	ZINC000006412052	170199487	/nfs/dbraw/zinc/19/94/87/170199487.db2.gz	NJHLJPYFVBVEMA-MELADBBJSA-N	0	3	272.344	3.718	1	30		CHEFHN
CCCCCCCCCCCCCC[C@H]1N[C@@H](CO)[C@@H]1O	ZINC000044093559	520006834	/nfs/dbraw/zinc/00/68/34/520006834.db2.gz	VJAWFIMGECOXKZ-FGTMMUONSA-N	0	3	299.499	3.771	1	30		CHEFHN
CCCCCCCCN1CCc2cc(O)c(O)cc2C1	ZINC000043544034	175064168	/nfs/dbraw/zinc/06/41/68/175064168.db2.gz	JZCWYPIFDZOIPZ-UHFFFAOYSA-N	0	3	277.408	3.816	1	30		CHEFHN
C=C1CCC([N+](=O)[O-])[C@](C)(N=O)CC[C@@H]2[C@@H]1CC2(C)C	ZINC000005741689	170135913	/nfs/dbraw/zinc/13/59/13/170135913.db2.gz	IXMGPRFXGAEAOT-GUIRCDHDSA-N	0	3	280.368	3.949	1	30		CHEFHN
Nc1ccnc(-c2cccc(C#Cc3ccccc3)c2)c1	ZINC000071340451	176130618	/nfs/dbraw/zinc/13/06/18/176130618.db2.gz	HQWVBEBSVKZWKG-UHFFFAOYSA-N	0	3	270.335	3.731	1	30		CHEFHN
C[C@@H]1[C@H]2C[C@@H](C[C@H]1/N=C/c1ccc(O)cc1)C2(C)C	ZINC000066077781	525713908	/nfs/dbraw/zinc/71/39/08/525713908.db2.gz	RDCBUFYMRDVVII-FBHOHFDISA-N	0	3	257.377	3.882	1	30		CHEFHN
C=C(CN(C)C)[C@@]1(c2ccccc2)CC2(CCCC2)C(=O)O1	ZINC000005954580	170162064	/nfs/dbraw/zinc/16/20/64/170162064.db2.gz	XHYMRNJDAMIDQE-LJQANCHMSA-N	0	3	299.414	3.507	1	30		CHEFHN
CN(C)C[C@@H]1CC/C(=C\c2ccc(Cl)c(Cl)c2)C1=O	ZINC000006371987	170196017	/nfs/dbraw/zinc/19/60/17/170196017.db2.gz	GJVQAIAVRGBAEN-VNKGSWCUSA-N	0	3	298.213	3.918	1	30		CHEFHN
C=CCN1CCc2ccsc2[C@H]1c1ccccc1	ZINC000028245240	171553794	/nfs/dbraw/zinc/55/37/94/171553794.db2.gz	UBDQPOLNVONQDR-OAHLLOKOSA-N	0	3	255.386	3.882	1	30		CHEFHN
CCOc1ccc(NC(=N)Nc2ccc(OCC)cc2)cc1	ZINC000005316866	170085227	/nfs/dbraw/zinc/08/52/27/170085227.db2.gz	SKTJISGGWXVVBE-UHFFFAOYSA-N	0	3	299.374	3.542	1	30		CHEFHN
CC[C@@H](c1ccccc1)C1C(=O)O[C@H]2CCC[C@@H]2C1=O	ZINC000006412062	170199646	/nfs/dbraw/zinc/19/96/46/170199646.db2.gz	NJHLJPYFVBVEMA-IHRRRGAJSA-N	0	3	272.344	3.718	1	30		CHEFHN
C[C@H]1[C@@H]2C[C@H](C[C@@H]1/N=C/c1ccc(O)cc1)C2(C)C	ZINC000095582361	185011059	/nfs/dbraw/zinc/01/10/59/185011059.db2.gz	RDCBUFYMRDVVII-MRHFBNCGSA-N	0	3	257.377	3.882	1	30		CHEFHN
CCCCCCCCCCCCCC[C@@H]1N[C@H](CO)[C@H]1O	ZINC000043574775	175069238	/nfs/dbraw/zinc/06/92/38/175069238.db2.gz	VJAWFIMGECOXKZ-KSZLIROESA-N	0	3	299.499	3.771	1	30		CHEFHN
N=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1N	ZINC000005582958	170116047	/nfs/dbraw/zinc/11/60/47/170116047.db2.gz	HSTCNHYIVMLVLC-UHFFFAOYSA-N	0	3	280.158	3.613	1	30		CHEFHN
CCCCCCCCCCCCCC[C@H]1N[C@H](CO)[C@H]1O	ZINC000043574593	175069219	/nfs/dbraw/zinc/06/92/19/175069219.db2.gz	VJAWFIMGECOXKZ-KURKYZTESA-N	0	3	299.499	3.771	1	30		CHEFHN
CCCCCCCCCCCCCC[C@@H]1N[C@@H](CO)[C@@H]1O	ZINC000043574778	175069222	/nfs/dbraw/zinc/06/92/22/175069222.db2.gz	VJAWFIMGECOXKZ-OKZBNKHCSA-N	0	3	299.499	3.771	1	30		CHEFHN
CC1(C)CC(=NCCCCO)Nc2ccc(Cl)cc21	ZINC000096908697	185127473	/nfs/dbraw/zinc/12/74/73/185127473.db2.gz	VQRVJSWDYNNCCY-UHFFFAOYSA-N	0	3	280.799	3.604	1	30		CHEFHN
C#CCNC12C[C@H]3CC(CC)(C[C@@H](C1)c1ccccc13)O2	ZINC000045338591	175360788	/nfs/dbraw/zinc/36/07/88/175360788.db2.gz	VMMAGGDYQWSJTQ-MYMYQCDVSA-N	0	3	281.399	3.540	1	30		CHEFHN