smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(NC=C2C(=O)NC(=S)N(C3CC3)C2=O)CC1	ZINC000020328834	277110075	/nfs/dbraw/zinc/11/00/75/277110075.db2.gz	DBJQCOIPMYNONL-CSKARUKUSA-N	1	0	309.395	-0.132	50	10		DBCARO
CCCCN1C(=O)[N-]C(=O)C(=CNCCN2CC[NH2+]CC2)C1=O	ZINC000100792051	379839173	/nfs/dbraw/zinc/83/91/73/379839173.db2.gz	VGHGDZFMLHXUHN-VAWYXSNFSA-N	1	0	323.397	-0.756	50	10		DBCARO
CC1=CC(=O)C2N(C=NN2CC(=O)N=[N+]=Cc2ccco2)N1	ZINC000334157291	257261646	/nfs/dbraw/zinc/26/16/46/257261646.db2.gz	CLJOQTJCMHSGRI-UHFFFAOYSA-P	1	0	302.294	-0.104	50	10		DBCARO
CN1C(=O)C(=CNCCC[NH+]2CCOCC2)C(=O)N(C)C1=O	ZINC000019707692	182137626	/nfs/dbraw/zinc/13/76/26/182137626.db2.gz	OLIRBRQBTUBRQL-UHFFFAOYSA-N	1	0	310.354	-0.767	50	10		DBCARO
C[C@H](C(=O)NCC(=O)C[N+]#N)N1C(=O)c2ccccc2C1=O	ZINC000005722758	544510619	/nfs/dbraw/zinc/51/06/19/544510619.db2.gz	KEUXITPEOZLALN-MRVPVSSYSA-N	1	0	300.274	-0.343	50	10		DBCARO
C[C@@H](C(=O)NCC(=O)C[N+]#N)N1C(=O)c2ccccc2C1=O	ZINC000017247739	544498925	/nfs/dbraw/zinc/49/89/25/544498925.db2.gz	KEUXITPEOZLALN-QMMMGPOBSA-N	1	0	300.274	-0.343	50	10		DBCARO
Cc1nc[nH]c1CSCC[NH2+]C[C@@]1(O)CNCCOC1	ZINC000077555643	374724288	/nfs/dbraw/zinc/72/42/88/374724288.db2.gz	BCXCWPMNEGOXOK-ZDUSSCGKSA-N	1	0	300.428	-0.108	50	10		DBCARO
Cc1nc[nH]c1CSCC[NH2+]C[C@]1(O)CNCCOC1	ZINC000077555639	374723650	/nfs/dbraw/zinc/72/36/50/374723650.db2.gz	BCXCWPMNEGOXOK-CYBMUJFWSA-N	1	0	300.428	-0.108	50	10		DBCARO
C[NH+](C)CCNC=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000100768963	379839114	/nfs/dbraw/zinc/83/91/14/379839114.db2.gz	FLGOZIPTMRHKHH-DHZHZOJOSA-N	1	0	306.322	-0.107	50	10		DBCARO