smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([O-])c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1	ZINC000121141806	402016750	/nfs/dbraw/zinc/01/67/50/402016750.db2.gz	KTADCSJOSOTHBR-HNNXBMFYSA-N	1	3	306.450	2.225	10	10		DECEHO
Cc1ccc([O-])c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1	ZINC000121141806	402016752	/nfs/dbraw/zinc/01/67/52/402016752.db2.gz	KTADCSJOSOTHBR-HNNXBMFYSA-N	1	3	306.450	2.225	10	10		DECEHO
Cc1ccc([O-])c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1	ZINC000121141644	402017040	/nfs/dbraw/zinc/01/70/40/402017040.db2.gz	KTADCSJOSOTHBR-OAHLLOKOSA-N	1	3	306.450	2.225	10	10		DECEHO
Cc1ccc([O-])c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1	ZINC000121141644	402017042	/nfs/dbraw/zinc/01/70/42/402017042.db2.gz	KTADCSJOSOTHBR-OAHLLOKOSA-N	1	3	306.450	2.225	10	10		DECEHO
C[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C	ZINC000093644241	684050578	/nfs/dbraw/zinc/05/05/78/684050578.db2.gz	ZNHWGWAXYWPIJE-APWZRJJASA-N	1	3	317.477	2.438	10	10		DECEHO
C[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1C	ZINC000093644241	684050579	/nfs/dbraw/zinc/05/05/79/684050579.db2.gz	ZNHWGWAXYWPIJE-APWZRJJASA-N	1	3	317.477	2.438	10	10		DECEHO
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)ccc2[O-])CC1	ZINC000180103823	525748476	/nfs/dbraw/zinc/74/84/76/525748476.db2.gz	MFXWJTXEKZBTPG-ZDUSSCGKSA-N	1	3	310.413	2.056	10	10		DECEHO
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)ccc2[O-])CC1	ZINC000180103823	525748485	/nfs/dbraw/zinc/74/84/85/525748485.db2.gz	MFXWJTXEKZBTPG-ZDUSSCGKSA-N	1	3	310.413	2.056	10	10		DECEHO
Oc1cc2c(cc1CN1CCC(C[NH+]3CCCC3)CC1)OCO2	ZINC000151821839	402058935	/nfs/dbraw/zinc/05/89/35/402058935.db2.gz	PTCLLQGBNSQDFY-UHFFFAOYSA-N	1	3	318.417	2.429	10	10		DECEHO
c1cc(N2CCOCC2)ccc1C[NH2+]CCCN1CCCCC1	ZINC000072786080	1080164635	/nfs/dbraw/zinc/16/46/35/1080164635.db2.gz	QKKZPAMTMOLTNW-UHFFFAOYSA-N	1	3	317.477	2.489	10	10		DECEHO
C[C@@H]1C[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C	ZINC000093644239	684050550	/nfs/dbraw/zinc/05/05/50/684050550.db2.gz	ZNHWGWAXYWPIJE-VQIMIIECSA-N	1	3	317.477	2.438	10	10		DECEHO
C[C@@H]1C[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1C	ZINC000093644239	684050551	/nfs/dbraw/zinc/05/05/51/684050551.db2.gz	ZNHWGWAXYWPIJE-VQIMIIECSA-N	1	3	317.477	2.438	10	10		DECEHO
COc1cc(O)c(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OC	ZINC000245540130	225220812	/nfs/dbraw/zinc/22/08/12/225220812.db2.gz	LVONGKVPIYCIIE-DZGCQCFKSA-N	1	3	320.433	2.326	10	10		DECEHO
COc1cc(O)c(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OC	ZINC000245540130	225220817	/nfs/dbraw/zinc/22/08/17/225220817.db2.gz	LVONGKVPIYCIIE-DZGCQCFKSA-N	1	3	320.433	2.326	10	10		DECEHO
C[C@H]1C[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C	ZINC000093644240	684050660	/nfs/dbraw/zinc/05/06/60/684050660.db2.gz	ZNHWGWAXYWPIJE-QFBILLFUSA-N	1	3	317.477	2.438	10	10		DECEHO
C[C@H]1C[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1C	ZINC000093644240	684050662	/nfs/dbraw/zinc/05/06/62/684050662.db2.gz	ZNHWGWAXYWPIJE-QFBILLFUSA-N	1	3	317.477	2.438	10	10		DECEHO
Cc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1[O-]	ZINC000180093890	524376194	/nfs/dbraw/zinc/37/61/94/524376194.db2.gz	WVZWYWIMUMBFJY-HNNXBMFYSA-N	1	3	306.450	2.225	10	10		DECEHO
Cc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1[O-]	ZINC000180093890	524376204	/nfs/dbraw/zinc/37/62/04/524376204.db2.gz	WVZWYWIMUMBFJY-HNNXBMFYSA-N	1	3	306.450	2.225	10	10		DECEHO
COc1cc(O)c(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OC	ZINC000245540132	225221010	/nfs/dbraw/zinc/22/10/10/225221010.db2.gz	LVONGKVPIYCIIE-ZFWWWQNUSA-N	1	3	320.433	2.326	10	10		DECEHO
COc1cc(O)c(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OC	ZINC000245540132	225221011	/nfs/dbraw/zinc/22/10/11/225221011.db2.gz	LVONGKVPIYCIIE-ZFWWWQNUSA-N	1	3	320.433	2.326	10	10		DECEHO
C[NH+](C)CCNC(=O)c1cccc2c(N)c3ccccc3nc12	ZINC000005957862	181300619	/nfs/dbraw/zinc/30/06/19/181300619.db2.gz	YLGMVQJPGUHTRO-UHFFFAOYSA-N	1	3	308.385	2.262	10	10	in-vitro	DECEHO
C[NH+](C)CCNC(=O)c1ccc2c(N)c3ccccc3nc2c1	ZINC000005957830	181300988	/nfs/dbraw/zinc/30/09/88/181300988.db2.gz	MUEZPZYBMMFYRX-UHFFFAOYSA-N	1	3	308.385	2.262	10	10		DECEHO
Cc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1[O-]	ZINC000180093870	524376530	/nfs/dbraw/zinc/37/65/30/524376530.db2.gz	WVZWYWIMUMBFJY-OAHLLOKOSA-N	1	3	306.450	2.225	10	10		DECEHO
Cc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1[O-]	ZINC000180093870	524376536	/nfs/dbraw/zinc/37/65/36/524376536.db2.gz	WVZWYWIMUMBFJY-OAHLLOKOSA-N	1	3	306.450	2.225	10	10		DECEHO
CN(C)CCNC(=O)c1ccc2[nH+]c3ccccc3c(N)c2c1	ZINC000005957827	181300908	/nfs/dbraw/zinc/30/09/08/181300908.db2.gz	IYBJQHDVCSKJLO-UHFFFAOYSA-N	1	3	308.385	2.262	10	10		DECEHO
C[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)CC[N@@H+]1C	ZINC000093644242	684050277	/nfs/dbraw/zinc/05/02/77/684050277.db2.gz	ZNHWGWAXYWPIJE-LPHOPBHVSA-N	1	3	317.477	2.438	10	10		DECEHO
C[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1C	ZINC000093644242	684050280	/nfs/dbraw/zinc/05/02/80/684050280.db2.gz	ZNHWGWAXYWPIJE-LPHOPBHVSA-N	1	3	317.477	2.438	10	10		DECEHO
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)ccc2[O-])CC1	ZINC000180103843	525789758	/nfs/dbraw/zinc/78/97/58/525789758.db2.gz	MFXWJTXEKZBTPG-CYBMUJFWSA-N	1	3	310.413	2.056	10	10		DECEHO
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(F)ccc2[O-])CC1	ZINC000180103843	525789761	/nfs/dbraw/zinc/78/97/61/525789761.db2.gz	MFXWJTXEKZBTPG-CYBMUJFWSA-N	1	3	310.413	2.056	10	10		DECEHO