smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=Nc1nc(NN)[nH+]c(NN)n1	4529970	169144927	/nfs/dbraw/zinc/14/49/27/169144927.db2.gz	FOQHZVKOISRJIO-UHFFFAOYSA-N	1	0	169.152	-0.895	40	10		ABCBRO
NC(=O)[C@@H]([NH3+])Cc1ccc(O)c(O)c1	1659924	169159253	/nfs/dbraw/zinc/15/92/53/169159253.db2.gz	DXOJUCNAHCVBRU-LURJTMIESA-N	1	0	196.206	-0.547	40	10		ABCBRO
NC(=O)[C@H]([NH3+])Cc1ccc(O)c(O)c1	6525104	169161963	/nfs/dbraw/zinc/16/19/63/169161963.db2.gz	DXOJUCNAHCVBRU-ZCFIWIBFSA-N	1	0	196.206	-0.547	40	10		ABCBRO
N#[N+]CC(=O)CC[C@@H]([NH3+])C(=O)[O-]	4521368	171013217	/nfs/dbraw/zinc/01/32/17/171013217.db2.gz	YCWQAMGASJSUIP-RXMQYKEDSA-N	1	0	171.156	-0.952	40	10	in-vitro	ABCBRO
COC(=O)c1c(C(=O)OC)c1=[N+]=N	5409708	207351477	/nfs/dbraw/zinc/35/14/77/207351477.db2.gz	ZDPNAWRETCZMPR-UHFFFAOYSA-N	1	0	182.135	-0.734	40	10		ABCBRO
N#[N+]N=C1C=C(N)C2=NNNN2N1	104090163	351709226	/nfs/dbraw/zinc/70/92/26/351709226.db2.gz	GXLWLTPEDSFMJX-UHFFFAOYSA-N	1	0	179.147	-0.895	40	10		ABCBRO
N#[N+]C1CCCNC1=O	55169010	534974035	/nfs/dbraw/zinc/97/40/35/534974035.db2.gz	SHPIODBBHQGMOA-UHFFFAOYSA-N	1	0	125.131	-0.433	40	10		ABCBRO
N#[N+]C=C([O-])C1(C(=O)C[N+]#N)CC1	5837008	534974448	/nfs/dbraw/zinc/97/44/48/534974448.db2.gz	XEFLXSCUSQPHGX-UHFFFAOYSA-N	1	0	178.151	-0.494	40	10		ABCBRO