smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[NH+](CCOc1ccc(NC(=[NH+]Cc2ccccc2)c2ccccc2)cc1)C(C)C	ZINC000001853311	562924847	/nfs/dbraw/zinc/92/48/47/562924847.db2.gz	KBRWWPRERJKISB-UHFFFAOYSA-N	2	1	429.608	6.243	1	30		IKEFMP
COc1ccc2c(C)cc(N[C@H]3CC[C@H]([NH2+]Cc4cn(C)c5ccc(C#N)cc45)C3)[nH+]c2c1	ZINC000028951175	563069600	/nfs/dbraw/zinc/06/96/00/563069600.db2.gz	SUMZVPSCJAYXSU-SFTDATJTSA-N	2	1	439.563	5.038	1	30		IKEFMP
CCCCCCC[N@H+]1CC[C@@H](C[C@H]([NH3+])Cc2ccnc3ccc(OC)cc23)[C@@H](CC)C1	ZINC000053175296	563141116	/nfs/dbraw/zinc/14/11/16/563141116.db2.gz	INYAVAQYONHWJL-FIXSFTCYSA-N	2	1	425.661	5.822	1	30		IKEFMP
[NH3+]Cc1sc2cc(C#Cc3ccc4c(c3)C[N@H+](Cc3ccccc3)CC4)ccc2c1Cl	ZINC000072109843	563163332	/nfs/dbraw/zinc/16/33/32/563163332.db2.gz	LPQFOJTZSVPKCA-UHFFFAOYSA-N	2	1	443.015	5.972	1	30		IKEFMP
COc1ccc2c(C)cc(N[C@H]3CC[C@H]([NH2+]Cc4cn(C)c5c4cccc5C#N)C3)[nH+]c2c1	ZINC000028951169	563069606	/nfs/dbraw/zinc/06/96/06/563069606.db2.gz	KAGSPAMVFIKNMJ-SFTDATJTSA-N	2	1	439.563	5.038	1	30		IKEFMP
COc1ccc2c(C)cc(N[C@H]3CC[C@H]([NH2+]Cc4cn(C)c5cc(C#N)ccc45)C3)[nH+]c2c1	ZINC000028951165	563069636	/nfs/dbraw/zinc/06/96/36/563069636.db2.gz	QCEDAZIPHFXLHP-SFTDATJTSA-N	2	1	439.563	5.038	1	30		IKEFMP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NN=Cc3ccc(C[NH+]4CCCC4)cc3)c2c1	ZINC000040575514	563105218	/nfs/dbraw/zinc/10/52/18/563105218.db2.gz	CMUANURRDQIZGC-LQKURTRISA-N	2	1	444.966	6.092	1	30		IKEFMP
CCCCCCCC[N@H+]1CCC[C@H](NC(=O)CCCCCCCCC[NH+]2CCCCC2)C1	ZINC000042784638	563115734	/nfs/dbraw/zinc/11/57/34/563115734.db2.gz	GPAHJJJOOPKSHC-MHZLTWQESA-N	2	1	449.768	6.534	1	30		IKEFMP
C#CC[N@H+](C)[C@H](C)Cc1ccc(OCCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1	ZINC000095586612	563189243	/nfs/dbraw/zinc/18/92/43/563189243.db2.gz	MJKWWKZMIZQQKV-JOCHJYFZSA-N	2	1	441.619	5.491	1	30		IKEFMP
C#CC[N@H+](C)[C@H](C)Cc1ccc(OCCNc2c3ccccc3[nH+]c3c2CCCC3)cc1	ZINC000095592050	563190484	/nfs/dbraw/zinc/19/04/84/563190484.db2.gz	NLIQKDYVOZKRKM-OAQYLSRUSA-N	2	1	427.592	5.101	1	30		IKEFMP
CCCCCCCCCCCCCC[N+](C)(C)CCN(C)CC[N@H+](C)CCN(C)C	ZINC000299841285	717181324	/nfs/dbraw/zinc/18/13/24/717181324.db2.gz	YYZLPPJEBWSTIZ-UHFFFAOYSA-N	2	1	427.786	5.189	1	30		IKEFMP
CCCCCCCCCCCCCC[N+](C)(C)CCN(C)CC[N@@H+](C)CCN(C)C	ZINC000299841285	717181326	/nfs/dbraw/zinc/18/13/26/717181326.db2.gz	YYZLPPJEBWSTIZ-UHFFFAOYSA-N	2	1	427.786	5.189	1	30		IKEFMP
CCCC[NH+](CCCC)CCOc1ccc(NC(=[NH+]c2ccccc2)c2ccccc2)cc1	ZINC000027192239	563040396	/nfs/dbraw/zinc/04/03/96/563040396.db2.gz	CCEAEDHPRLVVGB-UHFFFAOYSA-N	2	1	443.635	7.158	1	30		IKEFMP
CCCCCCC[N@H+]1CC[C@@H](CCCc2ccnc3ccc(OC)cc23)[C@@H](CC[NH3+])C1	ZINC000049745161	563139257	/nfs/dbraw/zinc/13/92/57/563139257.db2.gz	IFVNZFJEXZHFER-VWNXMTODSA-N	2	1	425.661	5.823	1	30		IKEFMP
C#CC[N@H+](C)Cc1cc2cc(OCCCC3CC[NH+](Cc4ccccc4)CC3)ccc2n1C	ZINC000072316998	563168464	/nfs/dbraw/zinc/16/84/64/563168464.db2.gz	ADCBAOTWERXLAP-UHFFFAOYSA-N	2	1	443.635	5.315	1	30	in-vitro	IKEFMP
C[N@H+](CCOc1ccc(NC(=[NH+]c2ccccc2)c2ccccc2)cc1)Cc1ccccc1	ZINC000001853272	562924881	/nfs/dbraw/zinc/92/48/81/562924881.db2.gz	CESSXVZMEJAALB-UHFFFAOYSA-N	2	1	435.571	6.388	1	30		IKEFMP
C[N@@H+](CCOc1ccc(NC(=[NH+]c2ccccc2)c2ccccc2)cc1)Cc1ccccc1	ZINC000001853272	562924882	/nfs/dbraw/zinc/92/48/82/562924882.db2.gz	CESSXVZMEJAALB-UHFFFAOYSA-N	2	1	435.571	6.388	1	30		IKEFMP
CCCCCCCC[N@H+]1CCC[C@@H](NC(=O)CCCCCCCCC[NH+]2CCCCC2)C1	ZINC000042784639	563115752	/nfs/dbraw/zinc/11/57/52/563115752.db2.gz	GPAHJJJOOPKSHC-HHHXNRCGSA-N	2	1	449.768	6.534	1	30		IKEFMP
CCCCCCCCCCCCCCOc1cccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)c1	ZINC000044157093	563121710	/nfs/dbraw/zinc/12/17/10/563121710.db2.gz	SBDAPIWFIVQKQY-UHFFFAOYSA-N	2	1	429.653	5.952	1	30		IKEFMP
CCCCCCC[N@H+]1CC[C@@H](CCCc2ccnc3ccc(OC)cc23)[C@@H](C[NH2+]C)C1	ZINC000049917897	563140700	/nfs/dbraw/zinc/14/07/00/563140700.db2.gz	UAVREYVZXAFXEK-VWNXMTODSA-N	2	1	425.661	5.694	1	30		IKEFMP
CC(C)[NH+](CCCOc1ccc(NC(=[NH+]c2ccccc2)c2ccccc2)cc1)C(C)C	ZINC000005314594	562943918	/nfs/dbraw/zinc/94/39/18/562943918.db2.gz	KPXXQRRHWHWRAN-UHFFFAOYSA-N	2	1	429.608	6.765	1	30		IKEFMP
C/C(=[NH+]\OCCC[NH+](C)C)c1ccc(Nc2c3c(Cl)coc3nc3ccccc32)cc1	ZINC000072109826	563163259	/nfs/dbraw/zinc/16/32/59/563163259.db2.gz	COEHRCJQDNNGKD-LQKURTRISA-N	2	1	436.943	6.070	1	30		IKEFMP
COc1ccc2c(c1)nc1occ(Cl)c1c2Nc1ccc(/C(C)=[NH+]/OCCC[NH3+])cc1	ZINC000072109986	563163336	/nfs/dbraw/zinc/16/33/36/563163336.db2.gz	DASYYRABMDYZEE-CCVNUDIWSA-N	2	1	438.915	5.476	1	30		IKEFMP
CC(C)[NH+](CCOc1ccc(NC(=[NH+]c2ccc(F)cc2)c2ccccc2)cc1)C(C)C	ZINC000001853227	562924875	/nfs/dbraw/zinc/92/48/75/562924875.db2.gz	NRYLHBMQGSHPDF-UHFFFAOYSA-N	2	1	433.571	6.514	1	30		IKEFMP
COc1ccc(C(Nc2ccc(OCC[NH+](C(C)C)C(C)C)cc2)=[NH+]c2ccccc2)cc1	ZINC000001853217	562924871	/nfs/dbraw/zinc/92/48/71/562924871.db2.gz	RZKDEOYYOPRASF-UHFFFAOYSA-N	2	1	445.607	6.383	1	30		IKEFMP
CC(C)[NH+](CCSc1ccc(NC(=[NH+]c2ccccc2)c2ccccc2)cc1)C(C)C	ZINC000005314630	562943955	/nfs/dbraw/zinc/94/39/55/562943955.db2.gz	KDXHACCUXXYXIT-UHFFFAOYSA-N	2	1	431.649	7.088	1	30		IKEFMP