smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)CN(S(C)(=O)=O)C[C@@H]2CN(Cc3ccccc3[O-])CCN21	ZINC000253394170	488519826	/nfs/dbraw/zinc/51/98/26/488519826.db2.gz	APDNLDSBRZZKAQ-HNNXBMFYSA-N	-1	3	353.488	0.932	40	10	biogenic,in-vitro	FCCBHM
CN1CCN(Cc2cc([N+](=O)[O-])cc(CN3CCN(C)CC3)c2[O-])CC1	ZINC000039379133	487810156	/nfs/dbraw/zinc/81/01/56/487810156.db2.gz	LCARYNFINKHQOB-UHFFFAOYSA-N	-1	3	363.462	0.795	40	10		FCCBHM
COC(=O)C=c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1=C(C)NCCO	ZINC000017074507	533321502	/nfs/dbraw/zinc/32/15/02/533321502.db2.gz	FIXWKMURRZRLJP-GDNBJRDFSA-N	-1	3	362.342	0.716	40	10		FCCBHM
O=C1c2c([O-])ccc(O)c2C(=O)c2c(NCCO)ccc(NCCO)c21	ZINC000004771957	207047480	/nfs/dbraw/zinc/04/74/80/207047480.db2.gz	WHPNHQRWWMLKPJ-UHFFFAOYSA-N	-1	3	358.350	0.682	40	10		FCCBHM
COC(=O)C=c1[n-]n(-c2nc3ccccc3s2)c(=O)c1=C(C)NC#N	ZINC000334157460	489267408	/nfs/dbraw/zinc/26/74/08/489267408.db2.gz	WJSFGWWGIOGNDY-UHFFFAOYSA-O	-1	3	356.387	0.806	40	10		FCCBHM
COCC(=O)N1C[C@@H]2COCCN2C2(CN(Cc3ccccc3[O-])C2)C1	ZINC000604381212	492059484	/nfs/dbraw/zinc/05/94/84/492059484.db2.gz	FSXXSRPBFJAJLJ-MRXNPFEDSA-N	-1	3	361.442	0.136	40	10	biogenic,in-vitro	FCCBHM
CN1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)[N-]C(=O)NC2=O)CC1	ZINC000059488779	529777555	/nfs/dbraw/zinc/77/75/55/529777555.db2.gz	RYLJVSHZQAHKOH-UHFFFAOYSA-N	-1	3	359.342	0.936	40	10		FCCBHM
CCCCN1C(=O)C(=CNCCCN2CCOCC2)C(=O)[N-]C1=S	ZINC000102484279	1245302163	/nfs/dbraw/zinc/30/21/63/1245302163.db2.gz	QOFYADVGKNHHPB-SEYXRHQNSA-N	-1	3	354.476	0.637	40	10		FCCBHM