smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)NC(=O)C(=C(C)NCC[NH+]2CCN(C(C)=O)CC2)C1=O	ZINC000001294798	210149489	/nfs/dbraw/zinc/14/94/89/210149489.db2.gz	YPIHKNDRVMWEPV-WYMLVPIESA-N	1	2	363.418	-0.722	50	30		FBEALO
CN(C)c1ccc(C=[NH+]Nc2nc3c(c(=O)[nH]c(=O)n3C)n2CCO)cc1	ZINC000004033991	204118611	/nfs/dbraw/zinc/11/86/11/204118611.db2.gz	CMXGYHBWOMGQEZ-VCHYOVAHSA-N	1	2	371.401	-0.072	50	30		FBEALO
C=CCn1c(=O)c2c(nc3n2CC(C(C)(C)C)=[NH+]N3CC(N)=O)n(C)c1=O	ZINC000010335887	485143514	/nfs/dbraw/zinc/14/35/14/485143514.db2.gz	FWLBHANMRQGXFB-UHFFFAOYSA-N	1	2	373.417	-0.210	50	30		FBEALO
C=CCNC(=O)NC(=O)C[NH+]1CCN(c2ncnc3c2cnn3C)CC1	ZINC000012920140	132306750	/nfs/dbraw/zinc/30/67/50/132306750.db2.gz	XLEZZYYNNOSQQR-UHFFFAOYSA-N	1	2	358.406	-0.503	50	30		FBEALO
N#Cc1ccc(C[NH+]2CCN(C(=O)Cn3ccc(=O)[nH]c3=O)CC2)cc1	ZINC000014125463	483834920	/nfs/dbraw/zinc/83/49/20/483834920.db2.gz	YMWARMKUVKJPNR-UHFFFAOYSA-N	1	2	353.382	-0.247	50	30		FBEALO
NC1=C(c2nc3ccccc3c(=O)[nH]2)C(=O)CN1CC[NH+]1CCOCC1	ZINC000019795479	220299841	/nfs/dbraw/zinc/29/98/41/220299841.db2.gz	CHXYZWPQGMTBIS-UHFFFAOYSA-N	1	2	355.398	-0.233	50	30		FBEALO
N#Cc1ccc(NC(=O)CN2CC[NH+](CC(=O)N3CCOCC3)CC2)cc1	ZINC000023249038	483787918	/nfs/dbraw/zinc/78/79/18/483787918.db2.gz	HATIIRYAWJUMCJ-UHFFFAOYSA-N	1	2	371.441	-0.027	50	30		FBEALO
CN(C1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1)S(C)(=O)=O	ZINC000058179194	221103890	/nfs/dbraw/zinc/10/38/90/221103890.db2.gz	HZYIFIWEFFKNCO-UHFFFAOYSA-N	1	2	355.464	-0.002	50	30		FBEALO
C[NH+]1CCN(C(=O)c2cc3n(n2)CCN(c2nccnc2C#N)C3)CC1	ZINC000065532077	221231154	/nfs/dbraw/zinc/23/11/54/221231154.db2.gz	NXPLCLOOHFEWBC-UHFFFAOYSA-N	1	2	352.402	-0.047	50	30		FBEALO
CC1(C)NC(=O)N(C[C@H](O)C[NH+]2CCN(c3ncccc3C#N)CC2)C1=O	ZINC000071282930	534963078	/nfs/dbraw/zinc/96/30/78/534963078.db2.gz	WHLCWTNIXHEKKM-CQSZACIVSA-N	1	2	372.429	-0.029	50	30		FBEALO
CC1(C)NC(=O)N(C[C@@H](O)C[NH+]2CCN(c3ncccc3C#N)CC2)C1=O	ZINC000071282931	534964313	/nfs/dbraw/zinc/96/43/13/534964313.db2.gz	WHLCWTNIXHEKKM-AWEZNQCLSA-N	1	2	372.429	-0.029	50	30		FBEALO
C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)N2CCSCC2)CC1	ZINC000072309162	483576471	/nfs/dbraw/zinc/57/64/71/483576471.db2.gz	MTRGYLVENYLRHZ-MRXNPFEDSA-N	1	2	364.515	-0.196	50	30		FBEALO
C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)N2CCSCC2)CC1	ZINC000072309162	483576466	/nfs/dbraw/zinc/57/64/66/483576466.db2.gz	MTRGYLVENYLRHZ-MRXNPFEDSA-N	1	2	364.515	-0.196	50	30		FBEALO
C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2C(=O)N2CCSCC2)CC1	ZINC000072309163	483576217	/nfs/dbraw/zinc/57/62/17/483576217.db2.gz	MTRGYLVENYLRHZ-INIZCTEOSA-N	1	2	364.515	-0.196	50	30		FBEALO
C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(=O)N2CCSCC2)CC1	ZINC000072309163	483576210	/nfs/dbraw/zinc/57/62/10/483576210.db2.gz	MTRGYLVENYLRHZ-INIZCTEOSA-N	1	2	364.515	-0.196	50	30		FBEALO
C[NH+](C)CC(=O)N1CCN(Cc2c[nH]c(C#N)c2)[C@H]2CS(=O)(=O)C[C@H]21	ZINC000082119982	221704236	/nfs/dbraw/zinc/70/42/36/221704236.db2.gz	DSHUMIROZYFLKS-LSDHHAIUSA-N	1	2	365.459	-0.742	50	30		FBEALO
CCNC(=O)[C@@H]1C[C@H](NC(=O)C2(C#N)CCOCC2)CN1Cc1[nH]cc[nH+]1	ZINC000091707784	521744789	/nfs/dbraw/zinc/74/47/89/521744789.db2.gz	NYUYQLXBYHUMKN-KBPBESRZSA-N	1	2	374.445	-0.075	50	30		FBEALO
N#CCCN(CCC#N)C(=O)CN1CC[NH+](CC(=O)N2CCCC2)CC1	ZINC000096981837	483732658	/nfs/dbraw/zinc/73/26/58/483732658.db2.gz	SBYCZJUIQWXFRY-UHFFFAOYSA-N	1	2	360.462	-0.118	50	30		FBEALO
Cc1noc(C)c1C[NH+]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1	ZINC000097054118	132227147	/nfs/dbraw/zinc/22/71/47/132227147.db2.gz	KGUDILVHDHHNHD-UHFFFAOYSA-N	1	2	358.402	-0.117	50	30		FBEALO
N#CCCN1CCN(c2c(=O)c(=O)c2NCCC[NH+]2CCOCC2)CC1	ZINC000101699540	526460718	/nfs/dbraw/zinc/46/07/18/526460718.db2.gz	IZMSVQWVUDVBNN-UHFFFAOYSA-N	1	2	361.446	-0.548	50	30		FBEALO
C=CCn1cc(C[N@@H+]2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)c(C)n1	ZINC000299777339	483649373	/nfs/dbraw/zinc/64/93/73/483649373.db2.gz	NFWADGAQJSAZRT-HUUCEWRRSA-N	1	2	357.480	-0.291	50	30		FBEALO
C=CCn1cc(C[N@H+]2CC[C@@H](NS(=O)(=O)N(C)C)[C@H](O)C2)c(C)n1	ZINC000299777339	483649365	/nfs/dbraw/zinc/64/93/65/483649365.db2.gz	NFWADGAQJSAZRT-HUUCEWRRSA-N	1	2	357.480	-0.291	50	30		FBEALO
C[NH+]1CCN(S(=O)(=O)N2CCN(C(=O)CC(C)(C)C#N)CC2)CC1	ZINC000408275449	483864611	/nfs/dbraw/zinc/86/46/11/483864611.db2.gz	ZRLUBOGRXNDQRB-UHFFFAOYSA-N	1	2	357.480	-0.437	50	30		FBEALO