smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([C@H]1CC12CC[NH+](C1CCOCC1)CC2)N1CCN(c2ccncc2)CC1	ZINC000103244099	136191059	/nfs/dbraw/zinc/19/10/59/136191059.db2.gz	XPRNBTJMAWYDGA-HXUWFJFHSA-N	1	3	384.524	2.011	1	0		GEAFHO
N[C@H](CCC[NH3+])C(=O)N[C@@H](C(=O)Nc1ccc2ccccc2c1)c1ccco1	ZINC000073224383	222269187	/nfs/dbraw/zinc/26/91/87/222269187.db2.gz	QVXQAPGOJCQSAG-IEBWSBKVSA-N	1	3	380.448	2.295	1	0		GEAFHO
Cc1nc2nc(N3CCNCC3)nn2c(-c2ccc(Cl)cc2Cl)c1C[NH3+]	ZINC000058506687	205176343	/nfs/dbraw/zinc/17/63/43/205176343.db2.gz	IAWOEQFYWINZNN-UHFFFAOYSA-N	1	3	392.294	2.275	1	0		GEAFHO
[NH3+]Cc1ccc(CCNCCNS(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000034804669	581096610	/nfs/dbraw/zinc/09/66/10/581096610.db2.gz	FAFGLFAFLMEYOX-UHFFFAOYSA-N	1	3	383.517	2.409	1	0		GEAFHO
Nc1ccc(-c2cccnc2)nc1C(=O)Nc1cnccc1N1CCC[C@H]([NH3+])C1	ZINC000103236839	136190989	/nfs/dbraw/zinc/19/09/89/136190989.db2.gz	VNHNIGCSETXKQL-HNNXBMFYSA-N	1	3	389.463	2.301	1	0		GEAFHO
O=C([C@@H]1CC12CC[NH+](C1CCOCC1)CC2)N1CCN(c2ccncc2)CC1	ZINC000103244096	136191029	/nfs/dbraw/zinc/19/10/29/136191029.db2.gz	XPRNBTJMAWYDGA-FQEVSTJZSA-N	1	3	384.524	2.011	1	0		GEAFHO
C[NH+](C)C1COC2C3=CC4OC(=O)C5(C)C4C(C)(CCC5O)C3CCC21C	ZINC000004097739	560194919	/nfs/dbraw/zinc/19/49/19/560194919.db2.gz	MRVMMDQTZLIFLF-NDMDGCSPSA-N	1	3	375.509	2.381	1	0	in-vitro	GEAFHO
C[NH+](C)C1COC2C3=CC4OC(=O)C5(C)C4C(C)(CCC5O)C3CCC21C	ZINC000004097740	560194924	/nfs/dbraw/zinc/19/49/24/560194924.db2.gz	MRVMMDQTZLIFLF-QGPVAIGPSA-N	1	3	375.509	2.381	1	0	in-vitro	GEAFHO
CC(=[NH2+])NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C	ZINC000013863364	207002014	/nfs/dbraw/zinc/00/20/14/207002014.db2.gz	HPIXXBOXOMPJNI-UGKGYDQZSA-N	1	3	394.519	2.419	1	0		GEAFHO
Nc1ccc(-c2ccccn2)nc1C(=O)Nc1cnccc1N1CCC[C@H]([NH3+])C1	ZINC000103236834	136190915	/nfs/dbraw/zinc/19/09/15/136190915.db2.gz	KYSZTDYOKABQLB-AWEZNQCLSA-N	1	3	389.463	2.301	1	0		GEAFHO
N[C@H](CCC[NH3+])C(=O)N[C@H](C(=O)Nc1ccc2ccccc2c1)c1ccco1	ZINC000073224384	222268688	/nfs/dbraw/zinc/26/86/88/222268688.db2.gz	QVXQAPGOJCQSAG-MJGOQNOKSA-N	1	3	380.448	2.295	1	0		GEAFHO
CC(C)(C)[NH2+]C[C@H](O)COC[C@H]1CN=C(Nc2c(Cl)cccc2Cl)N1	ZINC000013446512	210060303	/nfs/dbraw/zinc/06/03/03/210060303.db2.gz	XOVQKTDCYQAFMK-NEPJUHHUSA-N	1	3	389.327	2.499	1	0		GEAFHO
Nc1ccc(-c2ccncc2)nc1C(=O)Nc1cnccc1N1CCC[C@H]([NH3+])C1	ZINC000103236841	136190972	/nfs/dbraw/zinc/19/09/72/136190972.db2.gz	BBACLPBEICBLTD-HNNXBMFYSA-N	1	3	389.463	2.301	1	0		GEAFHO
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C[NH+](C)C	ZINC000013863366	221292727	/nfs/dbraw/zinc/29/27/27/221292727.db2.gz	KJJDJFMHYGBDRW-UGKGYDQZSA-N	1	3	381.520	2.394	1	0		GEAFHO
O=C([C@H]1C[C@@H](Oc2ccc(F)cc2)C[NH2+]1)N1CCCN(C2CCCC2)CC1	ZINC000072179780	222216542	/nfs/dbraw/zinc/21/65/42/222216542.db2.gz	NMGQVIBOWRVISE-WOJBJXKFSA-N	1	3	375.488	2.412	1	0		GEAFHO
O=C([C@H]1C[C@@H](Oc2ccc(F)cc2)CN1)N1CCC[N@@H+](C2CCCC2)CC1	ZINC000072179780	222216546	/nfs/dbraw/zinc/21/65/46/222216546.db2.gz	NMGQVIBOWRVISE-WOJBJXKFSA-N	1	3	375.488	2.412	1	0		GEAFHO
O=C([C@H]1C[C@@H](Oc2ccc(F)cc2)CN1)N1CCC[N@H+](C2CCCC2)CC1	ZINC000072179780	222216549	/nfs/dbraw/zinc/21/65/49/222216549.db2.gz	NMGQVIBOWRVISE-WOJBJXKFSA-N	1	3	375.488	2.412	1	0		GEAFHO