smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCN(C)CC1	ZINC000217014603	525940907	/nfs/dbraw/zinc/94/09/07/525940907.db2.gz	GPAIGYJFOYTFTI-KRWDZBQOSA-N	0	3	355.482	2.361	40	70		FEIBHN
CN1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1	ZINC000216919898	206360515	/nfs/dbraw/zinc/36/05/15/206360515.db2.gz	FUSWKCJDYOWFJS-UHFFFAOYSA-N	0	3	365.499	2.142	40	70		FEIBHN
CN1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1	ZINC000216906711	206361144	/nfs/dbraw/zinc/36/11/44/206361144.db2.gz	GRDNELWSPJZQLE-OAHLLOKOSA-N	0	3	365.499	2.142	40	70		FEIBHN
Cc1ccc(OC[C@H](O)CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1	ZINC000217440578	206362651	/nfs/dbraw/zinc/36/26/51/206362651.db2.gz	KENZNGGRMGTOEI-RCCFBDPRSA-N	0	3	354.450	2.016	40	70		FEIBHN
Cc1cc(C(=O)NCCN(C)C)cc2c1N(C)S(=O)(=O)c1ccccc1-2	ZINC000216892218	132271979	/nfs/dbraw/zinc/27/19/79/132271979.db2.gz	YVSCHVGKNROPFL-UHFFFAOYSA-N	0	3	373.478	2.092	40	70		FEIBHN
CN1CCC(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)CC1	ZINC000216896700	523755799	/nfs/dbraw/zinc/75/57/99/523755799.db2.gz	PGYRQQZTSICDRC-MRXNPFEDSA-N	0	3	359.470	2.266	40	70		FEIBHN
CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)C1	ZINC000216910239	523836981	/nfs/dbraw/zinc/83/69/81/523836981.db2.gz	PVDUDNGKMNKGJN-INIZCTEOSA-N	0	3	352.438	2.292	40	70		FEIBHN
CN1CCC(CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)CC1	ZINC000216896672	523756018	/nfs/dbraw/zinc/75/60/18/523756018.db2.gz	PGYRQQZTSICDRC-INIZCTEOSA-N	0	3	359.470	2.266	40	70		FEIBHN
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CC1CCN(C)CC1	ZINC000216897213	521899105	/nfs/dbraw/zinc/89/91/05/521899105.db2.gz	DNKDFCHFKQUMGQ-UHFFFAOYSA-N	0	3	350.415	2.161	40	70		FEIBHN
CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCN(C)CC1	ZINC000217035167	522872233	/nfs/dbraw/zinc/87/22/33/522872233.db2.gz	IQZVBPCDAAPTKA-KRWDZBQOSA-N	0	3	353.894	2.251	40	70		FEIBHN
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCN1CCN(C)CC1	ZINC000217014560	525934840	/nfs/dbraw/zinc/93/48/40/525934840.db2.gz	GPAIGYJFOYTFTI-QGZVFWFLSA-N	0	3	355.482	2.361	40	70		FEIBHN
Cc1ccc(NC(=O)[C@H]2CCCN(C)C2)cc1S(=O)(=O)N1CCCC1	ZINC000216914009	548679188	/nfs/dbraw/zinc/67/91/88/548679188.db2.gz	HAXNRDKUEHOKTF-HNNXBMFYSA-N	0	3	365.499	2.060	40	70		FEIBHN
CN1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1	ZINC000216906741	548679029	/nfs/dbraw/zinc/67/90/29/548679029.db2.gz	GRDNELWSPJZQLE-HNNXBMFYSA-N	0	3	365.499	2.142	40	70		FEIBHN
Cc1ccc(NC(=O)[C@@H]2CCCN(C)C2)cc1S(=O)(=O)N1CCCC1	ZINC000216913982	548679293	/nfs/dbraw/zinc/67/92/93/548679293.db2.gz	HAXNRDKUEHOKTF-OAHLLOKOSA-N	0	3	365.499	2.060	40	70		FEIBHN
C[NH+]1CCC(CCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC1	ZINC000217022124	548680720	/nfs/dbraw/zinc/68/07/20/548680720.db2.gz	VETFCAYDEYKARO-UHFFFAOYSA-N	0	3	373.906	2.173	40	70		FEIBHN
CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCN(C)CC1	ZINC000217035128	523042812	/nfs/dbraw/zinc/04/28/12/523042812.db2.gz	IQZVBPCDAAPTKA-QGZVFWFLSA-N	0	3	353.894	2.251	40	70		FEIBHN
CC[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000216905421	522672855	/nfs/dbraw/zinc/67/28/55/522672855.db2.gz	JFPRCCDYSJIIMN-QGZVFWFLSA-N	0	3	352.500	2.389	40	70		FEIBHN
C[NH+]1CCC(CCNC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)CC1	ZINC000217022572	548680227	/nfs/dbraw/zinc/68/02/27/548680227.db2.gz	QSAFDNNCMUPJMJ-UHFFFAOYSA-N	0	3	373.906	2.173	40	70		FEIBHN
Cc1ccc(OC[C@@H](O)CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1	ZINC000217440503	568183962	/nfs/dbraw/zinc/18/39/62/568183962.db2.gz	KENZNGGRMGTOEI-KSZLIROESA-N	0	3	354.450	2.016	40	70		FEIBHN
CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)C1	ZINC000216910208	523812076	/nfs/dbraw/zinc/81/20/76/523812076.db2.gz	PVDUDNGKMNKGJN-MRXNPFEDSA-N	0	3	352.438	2.292	40	70		FEIBHN
CC[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(S(C)(=O)=O)cc1	ZINC000216905458	522370410	/nfs/dbraw/zinc/37/04/10/522370410.db2.gz	JFPRCCDYSJIIMN-KRWDZBQOSA-N	0	3	352.500	2.389	40	70		FEIBHN