smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c2c(cnc1N1CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C1)C[NH2+]CCC2	ZINC001164995736	722191205	/nfs/dbraw/zinc/19/12/05/722191205.db2.gz	XPCXLFXTXDLWBD-DEOSSOPVSA-N	2	0	405.521	3.373	20	30		HGEDRP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@H]21	ZINC001165025808	721799721	/nfs/dbraw/zinc/79/97/21/721799721.db2.gz	PFVLHHVINABSOV-DQMJNTIXSA-N	2	0	416.573	3.121	20	30		HGEDRP
N#Cc1c2c(cnc1N1CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C1)C[NH2+]CCC2	ZINC001164995737	722191413	/nfs/dbraw/zinc/19/14/13/722191413.db2.gz	XPCXLFXTXDLWBD-XMMPIXPASA-N	2	0	405.521	3.373	20	30		HGEDRP
C=CCOC[C@@H]1CCC[C@@]12CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CCO2	ZINC001164978777	722169745	/nfs/dbraw/zinc/16/97/45/722169745.db2.gz	SHEMZEZLPSUQJG-WMZHIEFXSA-N	2	0	401.551	3.133	20	30		HGEDRP
C=CCN1C(=O)CC[C@@]12CCCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)[C@H]2CC	ZINC001164704475	719824193	/nfs/dbraw/zinc/82/41/93/719824193.db2.gz	YCAHLOBTXMDYGN-XUZZJYLKSA-N	2	0	412.578	3.481	20	30		HGEDRP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@@H]21	ZINC001165025811	721799738	/nfs/dbraw/zinc/79/97/38/721799738.db2.gz	PFVLHHVINABSOV-PUZWTLIVSA-N	2	0	416.573	3.121	20	30		HGEDRP
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc3c(c1C#N)CCC[NH2+]C3)CC2	ZINC001164793615	721489956	/nfs/dbraw/zinc/48/99/56/721489956.db2.gz	UKXIFAIWVCLBKT-UHFFFAOYSA-N	2	0	416.573	3.265	20	30		HGEDRP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@H]21	ZINC001165025810	721799983	/nfs/dbraw/zinc/79/99/83/721799983.db2.gz	PFVLHHVINABSOV-NTUVXCKYSA-N	2	0	416.573	3.121	20	30		HGEDRP
C=CCOC[C@H]1CCC[C@]12CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CCO2	ZINC001164978779	722169846	/nfs/dbraw/zinc/16/98/46/722169846.db2.gz	SHEMZEZLPSUQJG-XXBNENTESA-N	2	0	401.551	3.133	20	30		HGEDRP
C=CCN1C(=O)CC[C@@]12CCCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)[C@@H]2CC	ZINC001164704476	719824134	/nfs/dbraw/zinc/82/41/34/719824134.db2.gz	YCAHLOBTXMDYGN-ZJSXRUAMSA-N	2	0	412.578	3.481	20	30		HGEDRP
C=CCOC[C@H]1CCC[C@@]12CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CCO2	ZINC001164978772	722169713	/nfs/dbraw/zinc/16/97/13/722169713.db2.gz	SHEMZEZLPSUQJG-AUSIDOKSSA-N	2	0	401.551	3.133	20	30		HGEDRP
Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc4c(c2C#N)CCC[NH2+]C4)CC3)cs1	ZINC001164691473	719803320	/nfs/dbraw/zinc/80/33/20/719803320.db2.gz	HXPQUVPZXUMRKC-UHFFFAOYSA-N	2	0	422.602	3.389	20	30		HGEDRP
C=CCN1C(=O)CC[C@]12CCCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)[C@H]2CC	ZINC001164704474	719824364	/nfs/dbraw/zinc/82/43/64/719824364.db2.gz	YCAHLOBTXMDYGN-URXFXBBRSA-N	2	0	412.578	3.481	20	30		HGEDRP
C=CCN1C(=O)CC[C@]12CCCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)[C@@H]2CC	ZINC001164704472	719824238	/nfs/dbraw/zinc/82/42/38/719824238.db2.gz	YCAHLOBTXMDYGN-QPPBQGQZSA-N	2	0	412.578	3.481	20	30		HGEDRP
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@@H]21	ZINC001165025809	721800002	/nfs/dbraw/zinc/80/00/02/721800002.db2.gz	PFVLHHVINABSOV-GKVQRAMASA-N	2	0	416.573	3.121	20	30		HGEDRP
C=CCOC[C@@H]1CCC[C@]12CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CCO2	ZINC001164978774	722169801	/nfs/dbraw/zinc/16/98/01/722169801.db2.gz	SHEMZEZLPSUQJG-CVDCTZTESA-N	2	0	401.551	3.133	20	30		HGEDRP