smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc3c(c1)CCCN3C)C2	ZINC000019576611	401822459	/nfs/dbraw/zinc/82/24/59/401822459.db2.gz	ZPKIXWAKMVBWCB-UHFFFAOYSA-N	1	1	324.428	2.431	40	10		DECBMO
Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc3c(c1)CCCN3C)C2	ZINC000019576611	401822461	/nfs/dbraw/zinc/82/24/61/401822461.db2.gz	ZPKIXWAKMVBWCB-UHFFFAOYSA-N	1	1	324.428	2.431	40	10		DECBMO
Cc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc(N3CCCC3)cc1)CC2	ZINC000012222730	282007151	/nfs/dbraw/zinc/00/71/51/282007151.db2.gz	OUGXXFULJWLBCV-UHFFFAOYSA-N	1	1	324.428	2.237	40	10		DECBMO
Cc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccc3c(c1)CCCN3C)CC2	ZINC000012145339	401780450	/nfs/dbraw/zinc/78/04/50/401780450.db2.gz	FVKDLBKHXDGSII-UHFFFAOYSA-N	1	1	324.428	2.019	40	10		DECBMO
O=c1c2ccccc2occ1[C@H]1[NH2+]CCc2cc(O)c(O)cc21	ZINC000016525183	285213893	/nfs/dbraw/zinc/21/38/93/285213893.db2.gz	OTPBUNCWPYWHIS-KRWDZBQOSA-N	1	1	309.321	2.439	40	10		DECBMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(N2CCOCC2)cc1	ZINC000072324448	191123325	/nfs/dbraw/zinc/12/33/25/191123325.db2.gz	MQMBPUANXYJSSL-QFBILLFUSA-N	1	1	315.461	2.192	40	10		DECBMO
C[N@H+]1CCc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)c(O)c1	ZINC000000056410	401687692	/nfs/dbraw/zinc/68/76/92/401687692.db2.gz	VHRSWCTVFBWHKE-ZDUSSCGKSA-N	1	1	301.342	2.281	40	10	in-vitro	DECBMO
C[N@H+]1CCc2cc(O)c(O)cc2[C@H]1Cc1ccc(O)c(O)c1	ZINC000000056408	401687633	/nfs/dbraw/zinc/68/76/33/401687633.db2.gz	VHRSWCTVFBWHKE-CYBMUJFWSA-N	1	1	301.342	2.281	40	10	in-vitro	DECBMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(N2CCOCC2)cc1	ZINC000072324450	191122981	/nfs/dbraw/zinc/12/29/81/191122981.db2.gz	MQMBPUANXYJSSL-LPHOPBHVSA-N	1	1	315.461	2.192	40	10		DECBMO
COc1ccc(N2CCC(O)(Cn3cc[nH+]c3C)CC2)cc1	ZINC000012221679	401781949	/nfs/dbraw/zinc/78/19/49/401781949.db2.gz	WIUNBYYYTMAZSR-UHFFFAOYSA-N	1	1	301.390	2.232	40	10		DECBMO
CN1C(=O)c2ccccc2O[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21	ZINC000514288942	257216290	/nfs/dbraw/zinc/21/62/90/257216290.db2.gz	DKYBICQLIUXAFP-QAPCUYQASA-N	1	1	324.380	2.110	40	10	biogenic,in-vitro	DECBMO
COc1cccc([C@H]2[NH2+]CCc3cc(O)c(O)cc32)c1OC	ZINC000003703467	401724699	/nfs/dbraw/zinc/72/46/99/401724699.db2.gz	GWNMBOJDROASRW-MRXNPFEDSA-N	1	1	301.342	2.350	40	10		DECBMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(N2CCOCC2)cc1	ZINC000072324630	191123605	/nfs/dbraw/zinc/12/36/05/191123605.db2.gz	MQMBPUANXYJSSL-APWZRJJASA-N	1	1	315.461	2.192	40	10		DECBMO
Nc1ccc(OCC[NH+]2CCN(Cc3ccccc3)CC2)cc1	ZINC000019731863	182138991	/nfs/dbraw/zinc/13/89/91/182138991.db2.gz	GLFYKMFOANURLS-UHFFFAOYSA-N	1	1	311.429	2.465	40	10		DECBMO
Cc1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)[nH]n1	ZINC000019658377	401822825	/nfs/dbraw/zinc/82/28/25/401822825.db2.gz	ZBFQIEIRVGYGBG-UHFFFAOYSA-N	1	1	318.396	2.326	40	10		DECBMO
Cc1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)[nH]n1	ZINC000019658377	401822828	/nfs/dbraw/zinc/82/28/28/401822828.db2.gz	ZBFQIEIRVGYGBG-UHFFFAOYSA-N	1	1	318.396	2.326	40	10		DECBMO
COc1ccc([C@@H]2[NH2+]CCc3cc(O)c(O)cc32)c(OC)c1	ZINC000004724923	286364864	/nfs/dbraw/zinc/36/48/64/286364864.db2.gz	UQDIDFQFKYQBNN-KRWDZBQOSA-N	1	1	301.342	2.350	40	10		DECBMO
O=c1c2ccccc2occ1[C@@H]1[NH2+]CCc2cc(O)c(O)cc21	ZINC000016525181	285213922	/nfs/dbraw/zinc/21/39/22/285213922.db2.gz	OTPBUNCWPYWHIS-QGZVFWFLSA-N	1	1	309.321	2.439	40	10		DECBMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(N2CCOCC2)cc1	ZINC000072324627	191123398	/nfs/dbraw/zinc/12/33/98/191123398.db2.gz	MQMBPUANXYJSSL-VQIMIIECSA-N	1	1	315.461	2.192	40	10		DECBMO
COc1ccc([C@H]2[NH2+]CCc3cc(O)c(O)cc32)c(OC)c1	ZINC000004724922	401726716	/nfs/dbraw/zinc/72/67/16/401726716.db2.gz	UQDIDFQFKYQBNN-QGZVFWFLSA-N	1	1	301.342	2.350	40	10		DECBMO