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+](CCOc1c(Cl)cccc1Cl)[C@H](C[NH3+])C1CC1	ZINC000160142882	197388993	/nfs/dbraw/zinc/38/89/93/197388993.db2.gz	OVXBVMZWNBLOPQ-CYBMUJFWSA-N	2	2	303.233	3.041	10	70		DGIELP
C[N@@H+](CCOc1c(Cl)cccc1Cl)[C@H](C[NH3+])C1CC1	ZINC000160142882	197388995	/nfs/dbraw/zinc/38/89/95/197388995.db2.gz	OVXBVMZWNBLOPQ-CYBMUJFWSA-N	2	2	303.233	3.041	10	70		DGIELP
Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1	ZINC000159765231	197362853	/nfs/dbraw/zinc/36/28/53/197362853.db2.gz	UKIHNUXJYNSYSD-KRWDZBQOSA-N	2	2	323.440	3.397	10	70		DGIELP
Cc1ccc(C(=O)CC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1	ZINC000159765231	197362855	/nfs/dbraw/zinc/36/28/55/197362855.db2.gz	UKIHNUXJYNSYSD-KRWDZBQOSA-N	2	2	323.440	3.397	10	70		DGIELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)c1ccc(C)cc1	ZINC000160024323	197380572	/nfs/dbraw/zinc/38/05/72/197380572.db2.gz	XIGLABBVXLWLEC-SFHVURJKSA-N	2	2	311.429	3.237	10	70		DGIELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)c1ccc(C)cc1	ZINC000160024323	197380573	/nfs/dbraw/zinc/38/05/73/197380573.db2.gz	XIGLABBVXLWLEC-SFHVURJKSA-N	2	2	311.429	3.237	10	70		DGIELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)c1ccc(C)cc1	ZINC000160024194	197379885	/nfs/dbraw/zinc/37/98/85/197379885.db2.gz	XIGLABBVXLWLEC-GOSISDBHSA-N	2	2	311.429	3.237	10	70		DGIELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)c1ccc(C)cc1	ZINC000160024194	197379887	/nfs/dbraw/zinc/37/98/87/197379887.db2.gz	XIGLABBVXLWLEC-GOSISDBHSA-N	2	2	311.429	3.237	10	70		DGIELP
C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnccn1	ZINC000161071483	432757387	/nfs/dbraw/zinc/75/73/87/432757387.db2.gz	BYTVEWPMIVNERK-BPIHKTFHSA-N	2	2	322.456	3.323	10	70		DGIELP
C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnccn1	ZINC000161071483	432757391	/nfs/dbraw/zinc/75/73/91/432757391.db2.gz	BYTVEWPMIVNERK-BPIHKTFHSA-N	2	2	322.456	3.323	10	70		DGIELP
C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnccn1	ZINC000161071350	432757314	/nfs/dbraw/zinc/75/73/14/432757314.db2.gz	BYTVEWPMIVNERK-UXDRXVOSSA-N	2	2	322.456	3.323	10	70		DGIELP
C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnccn1	ZINC000161071350	432757317	/nfs/dbraw/zinc/75/73/17/432757317.db2.gz	BYTVEWPMIVNERK-UXDRXVOSSA-N	2	2	322.456	3.323	10	70		DGIELP
C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCC[NH+]1CCOCC1	ZINC000159875086	292802177	/nfs/dbraw/zinc/80/21/77/292802177.db2.gz	QVYMPOLUSFTZCR-SQFISAMPSA-N	2	2	308.853	3.055	10	70		DGIELP
Cc1ccc(C(=O)CC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1	ZINC000159765106	197362283	/nfs/dbraw/zinc/36/22/83/197362283.db2.gz	UKIHNUXJYNSYSD-QGZVFWFLSA-N	2	2	323.440	3.397	10	70		DGIELP
Cc1ccc(C(=O)CC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1	ZINC000159765106	197362285	/nfs/dbraw/zinc/36/22/85/197362285.db2.gz	UKIHNUXJYNSYSD-QGZVFWFLSA-N	2	2	323.440	3.397	10	70		DGIELP
C[N@H+](CCOc1c(Cl)cccc1Cl)[C@@H](C[NH3+])C1CC1	ZINC000160142733	432709148	/nfs/dbraw/zinc/70/91/48/432709148.db2.gz	OVXBVMZWNBLOPQ-ZDUSSCGKSA-N	2	2	303.233	3.041	10	70		DGIELP
C[N@@H+](CCOc1c(Cl)cccc1Cl)[C@@H](C[NH3+])C1CC1	ZINC000160142733	432709150	/nfs/dbraw/zinc/70/91/50/432709150.db2.gz	OVXBVMZWNBLOPQ-ZDUSSCGKSA-N	2	2	303.233	3.041	10	70		DGIELP