smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CC(CCN1CCC(C(=O)ON2C(=O)CCC2=O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1	ZINC000008214544	561705159	/nfs/dbraw/zinc/70/51/59/561705159.db2.gz	FTOLAXZXUUHQQX-UHFFFAOYSA-N	0	3	521.617	4.527	10	30	in-man	KJEEHN
CCCCCCCCC/C=C/C=C/C=C/C(=O)O[C@@]12C[C@@H](C)[C@]3(O)C4C=C(C)C(=O)[C@@]4(O)[C@H](O)[C@@]4(CO)O[C@H]4[C@H]3[C@@H]1C2(C)C	ZINC000008234257	565089228	/nfs/dbraw/zinc/08/92/28/565089228.db2.gz	NEZVVESVXBEHTR-YYHKZOSKSA-N	0	3	612.804	4.502	10	30	biogenic,in-vitro	KJEEHN
C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1	ZINC000053295296	562697326	/nfs/dbraw/zinc/69/73/26/562697326.db2.gz	JNSKQYZFEVKYDB-UVMMSNCQSA-N	0	3	590.721	4.720	10	30	in-vivo	KJEEHN
C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@@H]2C)[C@@H](C)[C@@H]1O	ZINC000077320005	553665525	/nfs/dbraw/zinc/66/55/25/553665525.db2.gz	LLYYNOVSVPBRGV-LHBBMHTMSA-N	0	3	564.833	4.504	10	30	in-vitro	KJEEHN
C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O	ZINC000077320007	553665370	/nfs/dbraw/zinc/66/53/70/553665370.db2.gz	LLYYNOVSVPBRGV-LWVOSLLHSA-N	0	3	564.833	4.504	10	30	in-vitro	KJEEHN
C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@@H]2C)[C@@H](C)[C@@H]1O	ZINC000100525796	554409829	/nfs/dbraw/zinc/40/98/29/554409829.db2.gz	LLYYNOVSVPBRGV-YZMOAOIFSA-N	0	3	564.833	4.504	10	30	in-man	KJEEHN
Cc1ccc(C(=O)NC2C(=O)[N@@+]3([O-])[C@@H]2SC(C)(C)[C@@H]3C(=O)OC(c2ccccc2)c2ccccc2)cc1	ZINC000585138939	717184819	/nfs/dbraw/zinc/18/48/19/717184819.db2.gz	BGRMBIBCGMDWSV-FWWNNSIMSA-N	0	3	516.619	4.501	10	30		KJEEHN
Cc1ccc(C(=O)NC2C(=O)[N@+]3([O-])[C@@H]2SC(C)(C)[C@@H]3C(=O)OC(c2ccccc2)c2ccccc2)cc1	ZINC000585138940	717184726	/nfs/dbraw/zinc/18/47/26/717184726.db2.gz	BGRMBIBCGMDWSV-QDWJFAQSSA-N	0	3	516.619	4.501	10	30		KJEEHN