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)C[C@@H](/N=C/c1ccccc1[O-])C(=O)[O-]	ZINC000022063007	187253923	/nfs/dbraw/zinc/25/39/23/187253923.db2.gz	HATBSGBCPLJYAR-GYBQTFJISA-N	-2	3	235.283	2.310	40	30		BEEBHL
C/C(=N\[O-])c1c([O-])ccc2c(C)cc(=O)oc21	ZINC000068675226	191002401	/nfs/dbraw/zinc/00/24/01/191002401.db2.gz	NLGZHVWFAWBPMA-NTUHNPAUSA-N	-2	3	233.223	2.005	40	30		BEEBHL
[O-]/N=C/c1cccc2c(/C=N/O)cccc12	ZINC000005553400	385164490	/nfs/dbraw/zinc/16/44/90/385164490.db2.gz	MZOOOXLLYPFEEU-FNCQTZNRSA-N	-2	3	214.224	2.456	40	30		BEEBHL
[O-]/N=C/c1cccc2c(/C=N/[O-])cccc12	ZINC000005553400	385164500	/nfs/dbraw/zinc/16/45/00/385164500.db2.gz	MZOOOXLLYPFEEU-FNCQTZNRSA-N	-2	3	214.224	2.456	40	30		BEEBHL
N#CC=C([O-])c1cc(Br)ccc1[O-]	ZINC000228939907	526443617	/nfs/dbraw/zinc/44/36/17/526443617.db2.gz	ZYWPQWJWZWTBHK-UHFFFAOYSA-N	-2	3	240.056	2.251	40	30		BEEBHL
CCc1n[n-]c(=S)n1N=Cc1ccccc1[O-]	ZINC000005410298	136215011	/nfs/dbraw/zinc/21/50/11/136215011.db2.gz	KZYYFMUNWRAMOV-KPKJPENVSA-N	-2	3	248.311	2.091	40	30		BEEBHL
CC(C)C[C@H](/N=C/c1ccccc1[O-])C(=O)[O-]	ZINC000022063011	384727428	/nfs/dbraw/zinc/72/74/28/384727428.db2.gz	HATBSGBCPLJYAR-KYJZABPNSA-N	-2	3	235.283	2.310	40	30		BEEBHL
N#CC=C([O-])N=Cc1ccc([O-])c2ccccc12	ZINC000004412224	181032727	/nfs/dbraw/zinc/03/27/27/181032727.db2.gz	DVGCFJOXZSCBOJ-CXUHLZMHSA-N	-2	3	238.246	2.405	40	30		BEEBHL