smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C	ZINC000161093226	432759736	/nfs/dbraw/zinc/75/97/36/432759736.db2.gz	ZCVLLGNNLXBCIY-NXEWRWPSSA-N	2	0	316.489	3.443	10	70		DGIERP
O[C@@H](C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1)c1ccccc1	ZINC000161384422	432776270	/nfs/dbraw/zinc/77/62/70/432776270.db2.gz	KAWCAHLTBLZYKN-UXHICEINSA-N	2	0	316.489	3.451	10	70		DGIERP
CCOC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1	ZINC000161090496	528975719	/nfs/dbraw/zinc/97/57/19/528975719.db2.gz	GYEOEANMKQNJFS-UXDRXVOSSA-N	2	0	302.462	3.197	10	70		DGIERP
c1cc([C@H]2CCCN2CCC[NH+]2CCCCC2)cc2c1OCO2	ZINC000161325007	432772501	/nfs/dbraw/zinc/77/25/01/432772501.db2.gz	IZLGMXQKGLKPOS-QGZVFWFLSA-N	2	0	316.445	3.428	10	70		DGIERP
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1	ZINC000160297801	432713747	/nfs/dbraw/zinc/71/37/47/432713747.db2.gz	PZKCVVPEGPRKMW-NZSAHSFTSA-N	2	0	309.542	3.063	10	70		DGIERP
C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCC[NH+]1CCC(O)CC1	ZINC000160117356	432706342	/nfs/dbraw/zinc/70/63/42/432706342.db2.gz	RCNCEDWZVVBSID-SQFISAMPSA-N	2	0	322.880	3.180	10	70		DGIERP
COc1cccc(CCC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1	ZINC000160480194	432723483	/nfs/dbraw/zinc/72/34/83/432723483.db2.gz	INJLNXQGNTWZML-UHFFFAOYSA-N	2	0	316.489	3.436	10	70		DGIERP
CCC[C@@H](C(=O)Nc1cccc(C[NH+](CC)CC)c1)[NH+](C)C	ZINC000161502200	432783747	/nfs/dbraw/zinc/78/37/47/432783747.db2.gz	VIBLQRQWCFXMET-KRWDZBQOSA-N	2	0	305.466	3.197	10	70		DGIERP
C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1	ZINC000160238999	292810682	/nfs/dbraw/zinc/81/06/82/292810682.db2.gz	GGIYRLGUATYTFI-QZTJIDSGSA-N	2	0	309.542	3.207	10	70		DGIERP
C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCC[NH+]1CCOCC1	ZINC000160010574	432705378	/nfs/dbraw/zinc/70/53/78/432705378.db2.gz	YPWURDCNYQHZGG-PEZBUJJGSA-N	2	0	322.880	3.445	10	70		DGIERP
c1cc([C@@H]2CCCN2CCC[NH+]2CCCCC2)cc2c1OCO2	ZINC000161324878	432772372	/nfs/dbraw/zinc/77/23/72/432772372.db2.gz	IZLGMXQKGLKPOS-KRWDZBQOSA-N	2	0	316.445	3.428	10	70		DGIERP
COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C	ZINC000161093111	432760202	/nfs/dbraw/zinc/76/02/02/432760202.db2.gz	ZCVLLGNNLXBCIY-RAFMOHDBSA-N	2	0	316.489	3.443	10	70		DGIERP
O[C@H](C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1)c1ccccc1	ZINC000161384117	432776460	/nfs/dbraw/zinc/77/64/60/432776460.db2.gz	KAWCAHLTBLZYKN-VQTJNVASSA-N	2	0	316.489	3.451	10	70		DGIERP
CCC[C@H](C(=O)Nc1cccc(C[NH+](CC)CC)c1)[NH+](C)C	ZINC000161502329	432782893	/nfs/dbraw/zinc/78/28/93/432782893.db2.gz	VIBLQRQWCFXMET-QGZVFWFLSA-N	2	0	305.466	3.197	10	70		DGIERP
CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO	ZINC000160725079	432738015	/nfs/dbraw/zinc/73/80/15/432738015.db2.gz	XGVDIWQUKBBXCF-KURKYZTESA-N	2	0	310.526	3.418	10	70		DGIERP
O[C@H](C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1)c1ccccc1	ZINC000161384304	432776692	/nfs/dbraw/zinc/77/66/92/432776692.db2.gz	KAWCAHLTBLZYKN-WOJBJXKFSA-N	2	0	316.489	3.451	10	70		DGIERP
CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO	ZINC000160725349	432737083	/nfs/dbraw/zinc/73/70/83/432737083.db2.gz	XGVDIWQUKBBXCF-KZNAEPCWSA-N	2	0	310.526	3.418	10	70		DGIERP
C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1	ZINC000160238869	292810862	/nfs/dbraw/zinc/81/08/62/292810862.db2.gz	GGIYRLGUATYTFI-ROUUACIJSA-N	2	0	309.542	3.207	10	70		DGIERP
O[C@@H](C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1)c1ccccc1	ZINC000161384222	432776240	/nfs/dbraw/zinc/77/62/40/432776240.db2.gz	KAWCAHLTBLZYKN-PMACEKPBSA-N	2	0	316.489	3.451	10	70		DGIERP
C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1	ZINC000160238742	432712176	/nfs/dbraw/zinc/71/21/76/432712176.db2.gz	GGIYRLGUATYTFI-MSOLQXFVSA-N	2	0	309.542	3.207	10	70		DGIERP
C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1	ZINC000160239131	292810744	/nfs/dbraw/zinc/81/07/44/292810744.db2.gz	GGIYRLGUATYTFI-ZWKOTPCHSA-N	2	0	309.542	3.207	10	70		DGIERP