smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1CC[N@H+](Cc2ccccc2)CC1=NNC(=O)[O-]	ZINC000833616145	605096452	/nfs/dbraw/zinc/09/64/52/605096452.db2.gz	RKQJHYVIWXIRGH-NSHDSACASA-N	0	1	261.325	2.152	20	50		CEGDMN
C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NNC(=O)[O-]	ZINC000833616145	605096457	/nfs/dbraw/zinc/09/64/57/605096457.db2.gz	RKQJHYVIWXIRGH-NSHDSACASA-N	0	1	261.325	2.152	20	50		CEGDMN
CC(=NNC(=O)[O-])c1ccc(-n2cc[nH+]c2C)cc1	ZINC000823532395	603577724	/nfs/dbraw/zinc/57/77/24/603577724.db2.gz	JJJHKYRRYZPDJJ-UHFFFAOYSA-N	0	1	258.281	2.172	20	50		CEGDMN
CC1(C)CC(=NNC(=O)[O-])C[N@H+]1Cc1ccccc1	ZINC000833554954	604943431	/nfs/dbraw/zinc/94/34/31/604943431.db2.gz	CXHXKVRHBFQNBV-UHFFFAOYSA-N	0	1	261.325	2.295	20	50		CEGDMN
CC(C)c1[nH+]c(/C=C(\C#N)C(=O)[O-])c2ccccn21	ZINC000827152814	601735313	/nfs/dbraw/zinc/73/53/13/601735313.db2.gz	KQEPDBNADRIOJR-JXMROGBWSA-N	0	1	255.277	2.449	20	50		CEGDMN
C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC=C(C#N)CC1	ZINC000824761594	609473825	/nfs/dbraw/zinc/47/38/25/609473825.db2.gz	BXYQUQOSDJAPIE-LLVKDONJSA-N	0	1	280.335	2.083	20	50		CEGDMN
C[C@@H](c1ccc(-c2nn[nH]n2)cc1)N1CC=C(C#N)CC1	ZINC000824761599	609473959	/nfs/dbraw/zinc/47/39/59/609473959.db2.gz	BXYQUQOSDJAPIE-NSHDSACASA-N	0	1	280.335	2.083	20	50		CEGDMN
C[C@@H]1CC[N@H+](Cc2ccccc2)CC1=NNC(=O)[O-]	ZINC000833616144	605096469	/nfs/dbraw/zinc/09/64/69/605096469.db2.gz	RKQJHYVIWXIRGH-LLVKDONJSA-N	0	1	261.325	2.152	20	50		CEGDMN
C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NNC(=O)[O-]	ZINC000833616144	605096472	/nfs/dbraw/zinc/09/64/72/605096472.db2.gz	RKQJHYVIWXIRGH-LLVKDONJSA-N	0	1	261.325	2.152	20	50		CEGDMN
C[N@@H+](Cc1ccccc1)CC(C)(C)C=NNC(=O)[O-]	ZINC000828383153	603581291	/nfs/dbraw/zinc/58/12/91/603581291.db2.gz	TUPDOLOHBLMTSG-UHFFFAOYSA-N	0	1	263.341	2.398	20	50		CEGDMN
CC(=NNC(=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000833384072	605577932	/nfs/dbraw/zinc/57/79/32/605577932.db2.gz	AYZBNNQAZOYPRQ-CYBMUJFWSA-N	0	1	261.325	2.152	20	50		CEGDMN
CC(=NNC(=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000833384074	605578418	/nfs/dbraw/zinc/57/84/18/605578418.db2.gz	AYZBNNQAZOYPRQ-ZDUSSCGKSA-N	0	1	261.325	2.152	20	50		CEGDMN
N#CC1=CC[N@H+](Cc2cccc(NC(=O)[O-])c2)CC1	ZINC000833963202	605720168	/nfs/dbraw/zinc/72/01/68/605720168.db2.gz	IRAWXISNSGUEFJ-UHFFFAOYSA-N	0	1	257.293	2.432	20	50		CEGDMN
N#CC1=CC[N@@H+](Cc2cccc(NC(=O)[O-])c2)CC1	ZINC000833963202	605720172	/nfs/dbraw/zinc/72/01/72/605720172.db2.gz	IRAWXISNSGUEFJ-UHFFFAOYSA-N	0	1	257.293	2.432	20	50		CEGDMN
CC(C)c1[nH+]c(/C=C(/C#N)C(=O)[O-])c2ccccn21	ZINC000827152833	601735510	/nfs/dbraw/zinc/73/55/10/601735510.db2.gz	KQEPDBNADRIOJR-YFHOEESVSA-N	0	1	255.277	2.449	20	50		CEGDMN
O=C([O-])NN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000832744273	605490175	/nfs/dbraw/zinc/49/01/75/605490175.db2.gz	IQGANEBOTSKAHD-OKILXGFUSA-N	0	1	273.336	2.437	20	50		CEGDMN