smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000217648767	539659968	/nfs/dbraw/zinc/65/99/68/539659968.db2.gz	BDPGIJZGQXEEKZ-KZNAEPCWSA-N	2	2	288.435	2.544	10	70		CFIELP
O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1	ZINC000217648767	539659972	/nfs/dbraw/zinc/65/99/72/539659972.db2.gz	BDPGIJZGQXEEKZ-KZNAEPCWSA-N	2	2	288.435	2.544	10	70		CFIELP
C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc(-n2cc[nH+]c2)cc1	ZINC000217625417	539659573	/nfs/dbraw/zinc/65/95/73/539659573.db2.gz	MTXPXVXELWOCSE-YSVLISHTSA-N	2	2	285.391	2.826	10	70		CFIELP
C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(-n2cc[nH+]c2)cc1	ZINC000217625566	539659107	/nfs/dbraw/zinc/65/91/07/539659107.db2.gz	MTXPXVXELWOCSE-JLJPHGGASA-N	2	2	285.391	2.826	10	70		CFIELP
CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1CCn1cc[nH+]c1	ZINC000159800099	378730607	/nfs/dbraw/zinc/73/06/07/378730607.db2.gz	QULKECMLJAFZOR-MRXNPFEDSA-N	2	2	285.391	2.735	10	70		CFIELP
CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1CCn1cc[nH+]c1	ZINC000159800099	378730610	/nfs/dbraw/zinc/73/06/10/378730610.db2.gz	QULKECMLJAFZOR-MRXNPFEDSA-N	2	2	285.391	2.735	10	70		CFIELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnc2ccccn12	ZINC000160964414	527448980	/nfs/dbraw/zinc/44/89/80/527448980.db2.gz	BHWLRHBMOSWVDJ-OAHLLOKOSA-N	2	2	295.390	2.504	10	70		CFIELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnc2ccccn12	ZINC000160964414	527448983	/nfs/dbraw/zinc/44/89/83/527448983.db2.gz	BHWLRHBMOSWVDJ-OAHLLOKOSA-N	2	2	295.390	2.504	10	70		CFIELP
CC[N@@H+]1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1	ZINC000218128040	521648724	/nfs/dbraw/zinc/64/87/24/521648724.db2.gz	KNIMOQBQIASDNQ-HNNXBMFYSA-N	2	2	257.381	2.742	10	70		CFIELP
CC[N@H+]1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1	ZINC000218128040	521648729	/nfs/dbraw/zinc/64/87/29/521648729.db2.gz	KNIMOQBQIASDNQ-HNNXBMFYSA-N	2	2	257.381	2.742	10	70		CFIELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1	ZINC000161424263	527440943	/nfs/dbraw/zinc/44/09/43/527440943.db2.gz	VZJWFYPEWVCKFN-KRWDZBQOSA-N	3	2	290.455	2.532	10	70		CFIELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1	ZINC000161424263	527440947	/nfs/dbraw/zinc/44/09/47/527440947.db2.gz	VZJWFYPEWVCKFN-KRWDZBQOSA-N	3	2	290.455	2.532	10	70		CFIELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1	ZINC000161424380	527449641	/nfs/dbraw/zinc/44/96/41/527449641.db2.gz	VZJWFYPEWVCKFN-QGZVFWFLSA-N	3	2	290.455	2.532	10	70		CFIELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1	ZINC000161424380	527449645	/nfs/dbraw/zinc/44/96/45/527449645.db2.gz	VZJWFYPEWVCKFN-QGZVFWFLSA-N	3	2	290.455	2.532	10	70		CFIELP
O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000217648604	539659942	/nfs/dbraw/zinc/65/99/42/539659942.db2.gz	BDPGIJZGQXEEKZ-RCCFBDPRSA-N	2	2	288.435	2.544	10	70		CFIELP
O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1	ZINC000217648604	539659948	/nfs/dbraw/zinc/65/99/48/539659948.db2.gz	BDPGIJZGQXEEKZ-RCCFBDPRSA-N	2	2	288.435	2.544	10	70		CFIELP
CCSCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000160083090	378747552	/nfs/dbraw/zinc/74/75/52/378747552.db2.gz	NKFVROXMMWKPHN-CYBMUJFWSA-N	2	2	265.426	2.569	10	70		CFIELP
CCSCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000160083090	378747560	/nfs/dbraw/zinc/74/75/60/378747560.db2.gz	NKFVROXMMWKPHN-CYBMUJFWSA-N	2	2	265.426	2.569	10	70		CFIELP
CCSCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000160083227	378747119	/nfs/dbraw/zinc/74/71/19/378747119.db2.gz	NKFVROXMMWKPHN-ZDUSSCGKSA-N	2	2	265.426	2.569	10	70		CFIELP
CCSCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000160083227	378747123	/nfs/dbraw/zinc/74/71/23/378747123.db2.gz	NKFVROXMMWKPHN-ZDUSSCGKSA-N	2	2	265.426	2.569	10	70		CFIELP
CC[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1	ZINC000218127968	521625416	/nfs/dbraw/zinc/62/54/16/521625416.db2.gz	KNIMOQBQIASDNQ-OAHLLOKOSA-N	2	2	257.381	2.742	10	70		CFIELP
CC[N@H+]1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1	ZINC000218127968	521625423	/nfs/dbraw/zinc/62/54/23/521625423.db2.gz	KNIMOQBQIASDNQ-OAHLLOKOSA-N	2	2	257.381	2.742	10	70		CFIELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnc2ccccn12	ZINC000160964304	527441375	/nfs/dbraw/zinc/44/13/75/527441375.db2.gz	BHWLRHBMOSWVDJ-HNNXBMFYSA-N	2	2	295.390	2.504	10	70		CFIELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnc2ccccn12	ZINC000160964304	527441382	/nfs/dbraw/zinc/44/13/82/527441382.db2.gz	BHWLRHBMOSWVDJ-HNNXBMFYSA-N	2	2	295.390	2.504	10	70		CFIELP
CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1CCn1cc[nH+]c1	ZINC000159799967	378730784	/nfs/dbraw/zinc/73/07/84/378730784.db2.gz	QULKECMLJAFZOR-INIZCTEOSA-N	2	2	285.391	2.735	10	70		CFIELP
CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CCn1cc[nH+]c1	ZINC000159799967	378730787	/nfs/dbraw/zinc/73/07/87/378730787.db2.gz	QULKECMLJAFZOR-INIZCTEOSA-N	2	2	285.391	2.735	10	70		CFIELP