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)NCCC[NH+]1CCN(C)CC1	ZINC000217014603	525940897	/nfs/dbraw/zinc/94/08/97/525940897.db2.gz	GPAIGYJFOYTFTI-KRWDZBQOSA-N	1	1	355.482	2.361	40	70		FEIBMO
C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1	ZINC000216906711	206361141	/nfs/dbraw/zinc/36/11/41/206361141.db2.gz	GRDNELWSPJZQLE-OAHLLOKOSA-N	1	1	365.499	2.142	40	70		FEIBMO
Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1	ZINC000217440578	206362648	/nfs/dbraw/zinc/36/26/48/206362648.db2.gz	KENZNGGRMGTOEI-RCCFBDPRSA-N	1	1	354.450	2.016	40	70		FEIBMO
COC(=O)c1ccccc1Nc1cc(N2CC[NH+](C)CC2)nc(SC)n1	ZINC000216852414	522287274	/nfs/dbraw/zinc/28/72/74/522287274.db2.gz	CTDHHVRMHOXCJD-UHFFFAOYSA-N	1	1	373.482	2.481	40	70		FEIBMO
C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)C1	ZINC000216910239	523836969	/nfs/dbraw/zinc/83/69/69/523836969.db2.gz	PVDUDNGKMNKGJN-INIZCTEOSA-N	1	1	352.438	2.292	40	70		FEIBMO
CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCN(C)CC1	ZINC000217035167	522872222	/nfs/dbraw/zinc/87/22/22/522872222.db2.gz	IQZVBPCDAAPTKA-KRWDZBQOSA-N	1	1	353.894	2.251	40	70		FEIBMO
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC[NH+]1CCN(C)CC1	ZINC000217014560	525934829	/nfs/dbraw/zinc/93/48/29/525934829.db2.gz	GPAIGYJFOYTFTI-QGZVFWFLSA-N	1	1	355.482	2.361	40	70		FEIBMO
COC(=O)c1ccc(Nc2cc(N3CC[NH+](C)CC3)nc(SC)n2)cc1	ZINC000216852457	522137023	/nfs/dbraw/zinc/13/70/23/522137023.db2.gz	OVPDCASLCFTYHT-UHFFFAOYSA-N	1	1	373.482	2.481	40	70		FEIBMO
CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCN(C)CC1	ZINC000217035128	523042805	/nfs/dbraw/zinc/04/28/05/523042805.db2.gz	IQZVBPCDAAPTKA-QGZVFWFLSA-N	1	1	353.894	2.251	40	70		FEIBMO
CCOC(=O)c1ccc(Nc2cc(N3CC[NH+](C)CC3)nc(C)n2)cc1	ZINC000216850213	521523294	/nfs/dbraw/zinc/52/32/94/521523294.db2.gz	OCOUGFQPOXCDQA-UHFFFAOYSA-N	1	1	355.442	2.457	40	70		FEIBMO
Cn1c2ccccc2cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1=O	ZINC000217567988	548682255	/nfs/dbraw/zinc/68/22/55/548682255.db2.gz	NBKGNXIGMLQADX-DOTOQJQBSA-N	1	1	361.445	2.320	40	70		FEIBMO
CC(=O)Nc1ccc(C(=O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1	ZINC000217564225	548682230	/nfs/dbraw/zinc/68/22/30/548682230.db2.gz	IADAVUHJHCCODZ-DOTOQJQBSA-N	1	1	365.433	2.109	40	70		FEIBMO
CC(=O)Nc1ccc(C(=O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1	ZINC000217564225	548682234	/nfs/dbraw/zinc/68/22/34/548682234.db2.gz	IADAVUHJHCCODZ-DOTOQJQBSA-N	1	1	365.433	2.109	40	70		FEIBMO
O=c1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c2ccc(O)cc2o1	ZINC000217559598	548682560	/nfs/dbraw/zinc/68/25/60/548682560.db2.gz	DQWGUKCFDDPOQF-DZGCQCFKSA-N	1	1	364.401	2.280	40	70		FEIBMO
Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1	ZINC000217440503	568183961	/nfs/dbraw/zinc/18/39/61/568183961.db2.gz	KENZNGGRMGTOEI-KSZLIROESA-N	1	1	354.450	2.016	40	70		FEIBMO
C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NCc2cccnc2)C1	ZINC000216910208	523812071	/nfs/dbraw/zinc/81/20/71/523812071.db2.gz	PVDUDNGKMNKGJN-MRXNPFEDSA-N	1	1	352.438	2.292	40	70		FEIBMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1ccccc1	ZINC000216844251	548678574	/nfs/dbraw/zinc/67/85/74/548678574.db2.gz	TZJWDDLSVSFKBQ-UHFFFAOYSA-N	1	1	353.422	2.335	40	70		FEIBMO