smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1[nH]cc[nH+]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000005975127	560204053	/nfs/dbraw/zinc/20/40/53/560204053.db2.gz	BSAPSHRFTPLHGL-DCAQKATOSA-N	1	2	362.390	-1.808	1	0	in-vitro	FAAFLO
NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CNC(=O)C[NH3+])s1	ZINC000013800652	220096245	/nfs/dbraw/zinc/09/62/45/220096245.db2.gz	DJZWACVLMZUPTI-UHFFFAOYSA-N	1	2	365.397	-3.295	1	0		FAAFLO
Nc1[nH+]cnc2c1c1c([nH]c(=O)[nH]c1=S)n2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000048998145	205167964	/nfs/dbraw/zinc/16/79/64/205167964.db2.gz	QZZQSZOTLDKXMV-QBDRUXMMSA-N	1	2	366.359	-1.064	1	0		FAAFLO
Nc1[nH+]cnc2c1c1c([nH]c(=O)[nH]c1=O)n2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000048998607	205167785	/nfs/dbraw/zinc/16/77/85/205167785.db2.gz	PCAZZGMLVCFODV-QBDRUXMMSA-N	1	2	350.291	-2.845	1	0		FAAFLO
Nc1[nH+]cnc2c1c1c([nH]c(=S)[nH]c1=O)n2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000049000201	205167444	/nfs/dbraw/zinc/16/74/44/205167444.db2.gz	RQLJWVFGMWLLHU-QBDRUXMMSA-N	1	2	366.359	-1.064	1	0		FAAFLO
CC[C@@]1(C(=O)OC)[NH2+][C@H](CN(C)C(=O)COC)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000061947210	208602234	/nfs/dbraw/zinc/60/22/34/208602234.db2.gz	RJIQXQFVQBDRLM-DFANHVJVSA-N	1	2	355.391	-1.384	3	0		FAAFLO
CCN(C[C@H]1[NH2+][C@@](C)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(=O)COC	ZINC000061947222	212028793	/nfs/dbraw/zinc/02/87/93/212028793.db2.gz	MMDHGTHEVKWBJQ-DFANHVJVSA-N	1	2	355.391	-1.384	3	0		FAAFLO