smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2	ZINC000096220851	1410325670	/nfs/dbraw/zinc/32/56/70/1410325670.db2.gz	DQQCLTKHZWKBNF-JOCHJYFZSA-N	2	0	376.504	3.209	40	30		GGEBRP
C=CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)NCC[NH+](C)C)C2	ZINC000049171850	519283454	/nfs/dbraw/zinc/28/34/54/519283454.db2.gz	ITCIMDRBMWIUSF-PMACEKPBSA-N	2	0	382.552	3.107	40	30	biogenic,in-vitro	GGEBRP
C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2	ZINC000096220853	222398884	/nfs/dbraw/zinc/39/88/84/222398884.db2.gz	DQQCLTKHZWKBNF-QFIPXVFZSA-N	2	0	376.504	3.209	40	30		GGEBRP
CN(C)c1ccc(/C=[NH+]\N(C)CCN(C)/[NH+]=C\c2ccc(N(C)C)cc2)cc1	ZINC000004530015	570381970	/nfs/dbraw/zinc/38/19/70/570381970.db2.gz	AXMSBPGDLMGFGN-BOYKQRMESA-N	2	0	380.540	3.050	40	30		GGEBRP
C[N+](C)(C/C=C/C[N+](C)(C)CC(=O)c1ccccc1)CC(=O)c1ccccc1	ZINC000003067589	570954369	/nfs/dbraw/zinc/95/43/69/570954369.db2.gz	GBJQNLKGHGBJED-VAWYXSNFSA-N	2	0	380.532	3.461	40	30		GGEBRP
CN(C)c1ccc(/C=[NH+]/N(C)CCN(C)/[NH+]=C\c2ccc(N(C)C)cc2)cc1	ZINC000025668117	570418026	/nfs/dbraw/zinc/41/80/26/570418026.db2.gz	AXMSBPGDLMGFGN-QFFDILLMSA-N	2	0	380.540	3.050	40	30		GGEBRP
C=CCn1ncc(C[NH+]2CCC3(CC2)Nc2ccccc2C2=[NH+]CCCN23)c1C	ZINC000072342671	519291939	/nfs/dbraw/zinc/29/19/39/519291939.db2.gz	QEGPFGXHQOFZMN-UHFFFAOYSA-N	2	0	390.535	3.248	40	30		GGEBRP