smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000002529784	170142640	/nfs/dbraw/zinc/14/26/40/170142640.db2.gz	BIXCZKNSCJNZBL-LXGUWJNJSA-N	1	1	207.226	-2.762	40	30		BAEBMO
NC(=[NH2+])N=NC(=CN=NC(N)N)C(F)(F)F	ZINC000008617573	181188664	/nfs/dbraw/zinc/18/86/64/181188664.db2.gz	UIOTXAGUOYYBFH-DBGBQUALSA-N	1	1	238.177	-1.143	40	30		BAEBMO
C[NH+]1CCN(C(=O)C/C(N)=N/O)CC1	ZINC000036929645	173064642	/nfs/dbraw/zinc/06/46/42/173064642.db2.gz	QMONROCFWJPQET-UHFFFAOYSA-N	1	1	200.242	-1.103	40	30		BAEBMO
NC(=[NH2+])N=NC(=CN=NC(N)N)C(F)(F)F	ZINC000104052316	181187516	/nfs/dbraw/zinc/18/75/16/181187516.db2.gz	UIOTXAGUOYYBFH-CPVSUZKPSA-N	1	1	238.177	-1.143	40	30		BAEBMO
NC(=[NH2+])N=NC(=CN=NC(N)N)[C@@H](O)CO	ZINC000104122033	181188060	/nfs/dbraw/zinc/18/80/60/181188060.db2.gz	VJSOREGYBQGYSO-DQHFIQMDSA-N	1	1	230.232	-3.352	40	30		BAEBMO
NC(=[NH2+])N=NC(=CN=NC(N)N)[C@@H](O)CO	ZINC000104122038	181187643	/nfs/dbraw/zinc/18/76/43/181187643.db2.gz	VJSOREGYBQGYSO-PLPMOTGCSA-N	1	1	230.232	-3.352	40	30		BAEBMO
C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1	ZINC000257200619	166357898	/nfs/dbraw/zinc/35/78/98/166357898.db2.gz	AECFMQVMLHXQGS-RKDXNWHRSA-N	1	1	214.265	-1.020	40	30		BAEBMO
C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC)C1	ZINC000257200619	166357894	/nfs/dbraw/zinc/35/78/94/166357894.db2.gz	AECFMQVMLHXQGS-RKDXNWHRSA-N	1	1	214.265	-1.020	40	30		BAEBMO
CCNC1=[NH+][C@@H]2[C@@H](O[C@H](CO)[C@H](O)[C@H]2O)S1	ZINC000584566816	358061297	/nfs/dbraw/zinc/06/12/97/358061297.db2.gz	PPAIMZHKIXDJRN-LQOSVEJXSA-N	1	1	248.304	-1.494	40	30		BAEBMO