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	722191207	/nfs/dbraw/zinc/19/12/07/722191207.db2.gz	XPCXLFXTXDLWBD-DEOSSOPVSA-N	2	1	405.521	3.373	20	30		HGEDMP
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@H]21	ZINC001165025808	721799724	/nfs/dbraw/zinc/79/97/24/721799724.db2.gz	PFVLHHVINABSOV-DQMJNTIXSA-N	2	1	416.573	3.121	20	30		HGEDMP
N#Cc1c2c(cnc1N1CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C1)C[NH2+]CCC2	ZINC001164995737	722191414	/nfs/dbraw/zinc/19/14/14/722191414.db2.gz	XPCXLFXTXDLWBD-XMMPIXPASA-N	2	1	405.521	3.373	20	30		HGEDMP
Cc1ccc([C@H](C#N)c2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)cc1	ZINC001164685172	719604566	/nfs/dbraw/zinc/60/45/66/719604566.db2.gz	SHDFBZPWNWKWEU-FQEVSTJZSA-N	2	1	415.545	3.112	20	30		HGEDMP
Cc1ccc([C@H](C#N)c2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)cc1	ZINC001164685172	719604574	/nfs/dbraw/zinc/60/45/74/719604574.db2.gz	SHDFBZPWNWKWEU-FQEVSTJZSA-N	2	1	415.545	3.112	20	30		HGEDMP
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(CC#N)c(C)[nH+]1)CC2	ZINC001164787206	721468142	/nfs/dbraw/zinc/46/81/42/721468142.db2.gz	DLXYYRXZGJRIBS-JOCHJYFZSA-N	2	1	412.578	3.190	20	30		HGEDMP
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(CC#N)c(C)[nH+]1)CC2	ZINC001164787206	721468146	/nfs/dbraw/zinc/46/81/46/721468146.db2.gz	DLXYYRXZGJRIBS-JOCHJYFZSA-N	2	1	412.578	3.190	20	30		HGEDMP
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)ccc1CC#N)CC2	ZINC001164713570	720145605	/nfs/dbraw/zinc/14/56/05/720145605.db2.gz	SDCGWUVDAOYXOJ-QFIPXVFZSA-N	2	1	405.546	3.359	20	30		HGEDMP
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)ccc1CC#N)CC2	ZINC001164713570	720145607	/nfs/dbraw/zinc/14/56/07/720145607.db2.gz	SDCGWUVDAOYXOJ-QFIPXVFZSA-N	2	1	405.546	3.359	20	30		HGEDMP
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)ccc1CC#N)CC2	ZINC001164713569	720145531	/nfs/dbraw/zinc/14/55/31/720145531.db2.gz	SDCGWUVDAOYXOJ-JOCHJYFZSA-N	2	1	405.546	3.359	20	30		HGEDMP
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)ccc1CC#N)CC2	ZINC001164713569	720145542	/nfs/dbraw/zinc/14/55/42/720145542.db2.gz	SDCGWUVDAOYXOJ-JOCHJYFZSA-N	2	1	405.546	3.359	20	30		HGEDMP
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@@H]21	ZINC001165025811	721799740	/nfs/dbraw/zinc/79/97/40/721799740.db2.gz	PFVLHHVINABSOV-PUZWTLIVSA-N	2	1	416.573	3.121	20	30		HGEDMP
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(CC#N)c(C)[nH+]1)CC2	ZINC001164787209	721467809	/nfs/dbraw/zinc/46/78/09/721467809.db2.gz	DLXYYRXZGJRIBS-QFIPXVFZSA-N	2	1	412.578	3.190	20	30		HGEDMP
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(CC#N)c(C)[nH+]1)CC2	ZINC001164787209	721467812	/nfs/dbraw/zinc/46/78/12/721467812.db2.gz	DLXYYRXZGJRIBS-QFIPXVFZSA-N	2	1	412.578	3.190	20	30		HGEDMP
C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc3c(c1C#N)CCC[NH2+]C3)CC2	ZINC001164793615	721489958	/nfs/dbraw/zinc/48/99/58/721489958.db2.gz	UKXIFAIWVCLBKT-UHFFFAOYSA-N	2	1	416.573	3.265	20	30		HGEDMP
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@H]21	ZINC001165025810	721799985	/nfs/dbraw/zinc/79/99/85/721799985.db2.gz	PFVLHHVINABSOV-NTUVXCKYSA-N	2	1	416.573	3.121	20	30		HGEDMP
Cc1ccc([C@@H](C#N)c2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)cc1	ZINC001164685175	719604943	/nfs/dbraw/zinc/60/49/43/719604943.db2.gz	SHDFBZPWNWKWEU-HXUWFJFHSA-N	2	1	415.545	3.112	20	30		HGEDMP
Cc1ccc([C@@H](C#N)c2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)cc1	ZINC001164685175	719604949	/nfs/dbraw/zinc/60/49/49/719604949.db2.gz	SHDFBZPWNWKWEU-HXUWFJFHSA-N	2	1	415.545	3.112	20	30		HGEDMP
Cc1nc(C[N@H+]2CCCC23CCN(c2ncc4c(c2C#N)CCC[NH2+]C4)CC3)cs1	ZINC001164691473	719803321	/nfs/dbraw/zinc/80/33/21/719803321.db2.gz	HXPQUVPZXUMRKC-UHFFFAOYSA-N	2	1	422.602	3.389	20	30		HGEDMP
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@@H]21	ZINC001165025809	721800005	/nfs/dbraw/zinc/80/00/05/721800005.db2.gz	PFVLHHVINABSOV-GKVQRAMASA-N	2	1	416.573	3.121	20	30		HGEDMP
CC(C)[N@H+](C)Cc1nn(-c2nc(-c3ccc(F)cc3)ccc2C#N)c2c1CC[NH2+]C2	ZINC001164684990	719606334	/nfs/dbraw/zinc/60/63/34/719606334.db2.gz	PRWUSIOQYBKBPF-UHFFFAOYSA-N	2	1	404.493	3.431	20	30		HGEDMP
CC(C)[N@@H+](C)Cc1nn(-c2nc(-c3ccc(F)cc3)ccc2C#N)c2c1CC[NH2+]C2	ZINC001164684990	719606341	/nfs/dbraw/zinc/60/63/41/719606341.db2.gz	PRWUSIOQYBKBPF-UHFFFAOYSA-N	2	1	404.493	3.431	20	30		HGEDMP
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(CC#N)c(C)[nH+]1)CC2	ZINC001164710394	720144912	/nfs/dbraw/zinc/14/49/12/720144912.db2.gz	ATZSLKLCPBDMBE-JOCHJYFZSA-N	2	1	405.546	3.359	20	30		HGEDMP
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(CC#N)c(C)[nH+]1)CC2	ZINC001164710394	720144915	/nfs/dbraw/zinc/14/49/15/720144915.db2.gz	ATZSLKLCPBDMBE-JOCHJYFZSA-N	2	1	405.546	3.359	20	30		HGEDMP
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(CC#N)c(C)[nH+]1)CC2	ZINC001164710395	720145560	/nfs/dbraw/zinc/14/55/60/720145560.db2.gz	ATZSLKLCPBDMBE-QFIPXVFZSA-N	2	1	405.546	3.359	20	30		HGEDMP
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(CC#N)c(C)[nH+]1)CC2	ZINC001164710395	720145569	/nfs/dbraw/zinc/14/55/69/720145569.db2.gz	ATZSLKLCPBDMBE-QFIPXVFZSA-N	2	1	405.546	3.359	20	30		HGEDMP