smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(C(=O)NCCCN2CCOCC2)CC1	ZINC000216921260	530047895	/nfs/dbraw/zinc/04/78/95/530047895.db2.gz	YCLLHHJJPBLSSO-UHFFFAOYSA-N	1	0	269.389	0.167	40	70		CCIBRO
COC(=O)C1CCN(C(=O)[C@H]2CCC[N@H+](C)C2)CC1	ZINC000216913404	533292797	/nfs/dbraw/zinc/29/27/97/533292797.db2.gz	ZACSKUUBJCLSOP-LBPRGKRZSA-N	1	0	268.357	0.740	40	70		CCIBRO
CCS(=O)(=O)N(CC(N)=[NH2+])c1ccc(OC)cc1	ZINC000217349615	351946897	/nfs/dbraw/zinc/94/68/97/351946897.db2.gz	BLHHFHALAVBGKF-UHFFFAOYSA-N	1	0	271.342	0.787	40	70		CCIBRO
COc1ccc(S(=O)(=O)N(CC(N)=[NH2+])C2CC2)cc1	ZINC000217351073	351946669	/nfs/dbraw/zinc/94/66/69/351946669.db2.gz	UWEMZYNCCGZUBD-UHFFFAOYSA-N	1	0	283.353	0.784	40	70		CCIBRO
CCS(=O)(=O)N(CC(N)=[NH2+])c1ccccc1F	ZINC000217349183	189709139	/nfs/dbraw/zinc/70/91/39/189709139.db2.gz	LILJBONDQISQMJ-UHFFFAOYSA-N	1	0	259.306	0.918	40	70		CCIBRO
Cc1ccc(CN(CC(N)=[NH2+])S(C)(=O)=O)cc1	ZINC000217757650	327925542	/nfs/dbraw/zinc/92/55/42/327925542.db2.gz	FNLOWFDPNFKSPD-UHFFFAOYSA-N	1	0	255.343	0.693	40	70		CCIBRO
CCS(=O)(=O)N(CC(N)=[NH2+])c1ccc(F)cc1	ZINC000217348953	351946908	/nfs/dbraw/zinc/94/69/08/351946908.db2.gz	RHESUVSTUVJZPX-UHFFFAOYSA-N	1	0	259.306	0.918	40	70		CCIBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000216782463	570306872	/nfs/dbraw/zinc/30/68/72/570306872.db2.gz	ROSAGKOZICWBFZ-SNVBAGLBSA-N	1	0	297.380	0.614	40	70		CCIBRO
CCS(=O)(=O)N(CC(N)=[NH2+])c1ccccc1OC	ZINC000217349838	351947148	/nfs/dbraw/zinc/94/71/48/351947148.db2.gz	PKHIQVOTNQJZLW-UHFFFAOYSA-N	1	0	271.342	0.787	40	70		CCIBRO
COC(=O)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1	ZINC000216922369	130759240	/nfs/dbraw/zinc/75/92/40/130759240.db2.gz	ZJSUMHKHXOPAAQ-UHFFFAOYSA-N	1	0	268.357	0.740	40	70		CCIBRO
COC[C@@H](O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000217381287	570307936	/nfs/dbraw/zinc/30/79/36/570307936.db2.gz	YFEVISBLYMKCHH-XQQFMLRXSA-N	1	0	278.352	0.275	40	70		CCIBRO
CN(CC(N)=[NH2+])S(=O)(=O)c1ccc(Cl)cc1	ZINC000217757995	351950532	/nfs/dbraw/zinc/95/05/32/351950532.db2.gz	ASPLCVXJZHAARC-UHFFFAOYSA-N	1	0	261.734	0.896	40	70		CCIBRO
COc1ccc(N(CC(N)=[NH2+])S(C)(=O)=O)cc1	ZINC000217348193	351946932	/nfs/dbraw/zinc/94/69/32/351946932.db2.gz	QUHYADOBPFJERT-UHFFFAOYSA-N	1	0	257.315	0.397	40	70		CCIBRO
C[NH+]1CCC(CC(=O)NCCCN2CCOCC2)CC1	ZINC000216897588	397433492	/nfs/dbraw/zinc/43/34/92/397433492.db2.gz	KODRHMTYXDBDBN-UHFFFAOYSA-N	1	0	283.416	0.557	40	70		CCIBRO
C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000216782507	570306825	/nfs/dbraw/zinc/30/68/25/570306825.db2.gz	ROSAGKOZICWBFZ-JTQLQIEISA-N	1	0	297.380	0.614	40	70		CCIBRO
C[N@@H+]1CCC[C@H](C(=O)N2CCC(C(N)=O)CC2)C1	ZINC000216907783	397433402	/nfs/dbraw/zinc/43/34/02/397433402.db2.gz	UWCMFRQAYILOMA-NSHDSACASA-N	1	0	253.346	0.052	40	70		CCIBRO
COc1ccccc1N(CC(N)=[NH2+])S(C)(=O)=O	ZINC000217348397	351946957	/nfs/dbraw/zinc/94/69/57/351946957.db2.gz	FEFHHFCGIBGEPG-UHFFFAOYSA-N	1	0	257.315	0.397	40	70		CCIBRO
CCS(=O)(=O)N(CC(N)=[NH2+])c1cccc(F)c1	ZINC000217349079	189709147	/nfs/dbraw/zinc/70/91/47/189709147.db2.gz	ODSRGVUGMYIQGT-UHFFFAOYSA-N	1	0	259.306	0.918	40	70		CCIBRO
NC(=[NH2+])CN(C1CC1)S(=O)(=O)c1ccc(F)cc1	ZINC000217351829	351946608	/nfs/dbraw/zinc/94/66/08/351946608.db2.gz	HWUITFTXVTULPZ-UHFFFAOYSA-N	1	0	271.317	0.915	40	70		CCIBRO
C[N@@H+]1CCC[C@@H](C(=O)NCCCN2CCOCC2)C1	ZINC000216910626	262341711	/nfs/dbraw/zinc/34/17/11/262341711.db2.gz	BAJBWVIPTAQAAU-CYBMUJFWSA-N	1	0	269.389	0.167	40	70		CCIBRO
C[N@@H+]1CCC[C@@H](C(=O)N2CCC(C(N)=O)CC2)C1	ZINC000216907752	397433466	/nfs/dbraw/zinc/43/34/66/397433466.db2.gz	UWCMFRQAYILOMA-LLVKDONJSA-N	1	0	253.346	0.052	40	70		CCIBRO
C[N@@H+]1CCC[C@H](C(=O)NCCCN2CCOCC2)C1	ZINC000216910655	262341958	/nfs/dbraw/zinc/34/19/58/262341958.db2.gz	BAJBWVIPTAQAAU-ZDUSSCGKSA-N	1	0	269.389	0.167	40	70		CCIBRO
COc1cccc(N(CC(N)=[NH2+])S(C)(=O)=O)c1	ZINC000217348298	189709222	/nfs/dbraw/zinc/70/92/22/189709222.db2.gz	GGJOJVWVSSJFMO-UHFFFAOYSA-N	1	0	257.315	0.397	40	70		CCIBRO
CS(=O)(=O)N(CC(N)=[NH2+])Cc1ccc(F)cc1	ZINC000217757775	327925597	/nfs/dbraw/zinc/92/55/97/327925597.db2.gz	TXTVDWPJLGKMKR-UHFFFAOYSA-N	1	0	259.306	0.523	40	70		CCIBRO
CCS(=O)(=O)N(CC(N)=[NH2+])c1cccc(OC)c1	ZINC000217349727	351946509	/nfs/dbraw/zinc/94/65/09/351946509.db2.gz	MIRZMUWRLQVWMZ-UHFFFAOYSA-N	1	0	271.342	0.787	40	70		CCIBRO
CN(C)S(=O)(=O)c1ccc(CCC(N)=[NH2+])cc1	ZINC000217758218	327925523	/nfs/dbraw/zinc/92/55/23/327925523.db2.gz	CXGFJYNJAOVRJC-UHFFFAOYSA-N	1	0	255.343	0.805	40	70		CCIBRO
COC(=O)C1CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)CC1	ZINC000216913380	533291125	/nfs/dbraw/zinc/29/11/25/533291125.db2.gz	ZACSKUUBJCLSOP-GFCCVEGCSA-N	1	0	268.357	0.740	40	70		CCIBRO