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(c2cc[nH+]cc2)CC1	ZINC000103244099	136191058	/nfs/dbraw/zinc/19/10/58/136191058.db2.gz	XPRNBTJMAWYDGA-HXUWFJFHSA-N	2	0	384.524	2.011	1	0		GEAFRP
NC(=[NH2+])c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@@H]3CCC[N@H+]23)cc1	ZINC000058543530	205176211	/nfs/dbraw/zinc/17/62/11/205176211.db2.gz	QKVYJJDWLBNNSF-NMLBUPMWSA-N	2	0	388.471	2.291	1	0		GEAFRP
[NH3+]CCC[C@@H]([NH3+])C(=O)N[C@@H](C(=O)Nc1ccc2ccccc2c1)c1ccco1	ZINC000073224383	222269181	/nfs/dbraw/zinc/26/91/81/222269181.db2.gz	QVXQAPGOJCQSAG-IEBWSBKVSA-N	2	0	380.448	2.295	1	0		GEAFRP
Cc1nc2nc(N3CC[NH2+]CC3)nn2c(-c2ccc(Cl)cc2Cl)c1C[NH3+]	ZINC000058506687	205176339	/nfs/dbraw/zinc/17/63/39/205176339.db2.gz	IAWOEQFYWINZNN-UHFFFAOYSA-N	2	0	392.294	2.275	1	0		GEAFRP
[NH3+]Cc1ccc(CC[NH2+]CCNS(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000034804669	581096609	/nfs/dbraw/zinc/09/66/09/581096609.db2.gz	FAFGLFAFLMEYOX-UHFFFAOYSA-N	2	0	383.517	2.409	1	0		GEAFRP
Nc1ccc(-c2cccnc2)nc1C(=O)Nc1c[nH+]ccc1N1CCC[C@H]([NH3+])C1	ZINC000103236839	136190988	/nfs/dbraw/zinc/19/09/88/136190988.db2.gz	VNHNIGCSETXKQL-HNNXBMFYSA-N	2	0	389.463	2.301	1	0		GEAFRP
O=C([C@@H]1CC12CC[NH+](C1CCOCC1)CC2)N1CCN(c2cc[nH+]cc2)CC1	ZINC000103244096	136191028	/nfs/dbraw/zinc/19/10/28/136191028.db2.gz	XPRNBTJMAWYDGA-FQEVSTJZSA-N	2	0	384.524	2.011	1	0		GEAFRP
FC(F)(F)c1cc([C@H]2C[NH2+]CCNCC[NH2+]CCN2)cc(C(F)(F)F)c1	ZINC000029126207	207356584	/nfs/dbraw/zinc/35/65/84/207356584.db2.gz	WJAMTONEHDHPCW-CQSZACIVSA-N	2	0	384.368	2.137	1	0		GEAFRP
O=C(Nc1ccc(NC2=[NH+]CCN2)cc1)Nc1ccc(NC2=[NH+]CCN2)cc1	ZINC000029133248	207358320	/nfs/dbraw/zinc/35/83/20/207358320.db2.gz	LKTCZTBRNBJWBP-UHFFFAOYSA-N	2	0	378.440	2.073	1	0		GEAFRP
CN([C@@H]1CC[N@@H+]2CCc3ccccc3[C@@H]2C1)S(=O)(=O)CC[NH+]1CCCCC1	ZINC000029215507	207358864	/nfs/dbraw/zinc/35/88/64/207358864.db2.gz	CKFZRPUKPZJGSX-CTNGQTDRSA-N	2	0	391.581	2.496	1	0		GEAFRP
CC(=[NH2+])NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C	ZINC000013863364	207002008	/nfs/dbraw/zinc/00/20/08/207002008.db2.gz	HPIXXBOXOMPJNI-UGKGYDQZSA-N	2	0	394.519	2.419	1	0		GEAFRP
C[C@@]1([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2ccc(=O)[nH]c2CC[C@@H]1O	ZINC000026979798	207320976	/nfs/dbraw/zinc/32/09/76/207320976.db2.gz	HDVGLNSYFCVPTD-JTHBVZDNSA-N	2	0	381.520	2.399	1	0		GEAFRP
Nc1ccc(-c2ccccn2)nc1C(=O)Nc1c[nH+]ccc1N1CCC[C@H]([NH3+])C1	ZINC000103236834	136190914	/nfs/dbraw/zinc/19/09/14/136190914.db2.gz	KYSZTDYOKABQLB-AWEZNQCLSA-N	2	0	389.463	2.301	1	0		GEAFRP
[NH3+]CCCN(CCC[N@@H+]1CCc2ccccc2C1)S(=O)(=O)c1ccccc1	ZINC000073159855	208032181	/nfs/dbraw/zinc/03/21/81/208032181.db2.gz	AUUJDSNHSKQDHS-UHFFFAOYSA-N	2	0	387.549	2.475	1	0		GEAFRP
FC(F)(F)c1cc([C@@H]2C[NH2+]CCNCC[NH2+]CCN2)cc(C(F)(F)F)c1	ZINC000029126206	207356493	/nfs/dbraw/zinc/35/64/93/207356493.db2.gz	WJAMTONEHDHPCW-AWEZNQCLSA-N	2	0	384.368	2.137	1	0		GEAFRP
[NH3+]CCC[C@@H]([NH3+])C(=O)N[C@H](C(=O)Nc1ccc2ccccc2c1)c1ccco1	ZINC000073224384	222268685	/nfs/dbraw/zinc/26/86/85/222268685.db2.gz	QVXQAPGOJCQSAG-MJGOQNOKSA-N	2	0	380.448	2.295	1	0		GEAFRP
c1cc(N2CCCN(c3ccc(C4=[NH+]CCN4)cc3)CC2)ccc1C1=[NH+]CCN1	ZINC000005933237	209622530	/nfs/dbraw/zinc/62/25/30/209622530.db2.gz	LGBPUWVGKYAELY-UHFFFAOYSA-N	2	0	388.519	2.103	1	0		GEAFRP
CC[NH+](CC)CCNc1nc(NCC[NH+](CC)CC)nc(N2CCCCC2)n1	ZINC000058506700	535542064	/nfs/dbraw/zinc/54/20/64/535542064.db2.gz	CGQKDGOEQUPSND-UHFFFAOYSA-N	2	0	392.596	2.369	1	0		GEAFRP
CC(C)(C)[NH2+]C[C@H](O)COC[C@H]1C[NH+]=C(Nc2c(Cl)cccc2Cl)N1	ZINC000013446512	210060297	/nfs/dbraw/zinc/06/02/97/210060297.db2.gz	XOVQKTDCYQAFMK-NEPJUHHUSA-N	2	0	389.327	2.499	1	0		GEAFRP
NC(=[NH2+])c1cccc(Oc2ccc(C(N)=O)c(Oc3cccc(C(N)=[NH2+])c3)n2)c1	ZINC000013797418	210091858	/nfs/dbraw/zinc/09/18/58/210091858.db2.gz	AHGDYLUQZBUCBX-UHFFFAOYSA-N	2	0	390.403	2.333	1	0		GEAFRP
CC(C)(C)[NH2+]C[C@H](O)COc1cc(Cl)c(NC2=[NH+]CCN2)c(Cl)c1	ZINC000013446515	210061084	/nfs/dbraw/zinc/06/10/84/210061084.db2.gz	IIRVBYOIXYNPRC-JTQLQIEISA-N	2	0	375.300	2.492	1	0		GEAFRP
[NH2+]=C(NCCC[NH+]1CCCC1)NCc1ccc(I)cc1	ZINC000013809064	210092598	/nfs/dbraw/zinc/09/25/98/210092598.db2.gz	HNNMWVRDGFJHAW-UHFFFAOYSA-N	2	0	386.281	2.391	1	0		GEAFRP
NC(=[NH2+])c1cccc(COc2ccc(C(N)=[NH2+])cc2I)c1	ZINC000096910525	211350935	/nfs/dbraw/zinc/35/09/35/211350935.db2.gz	YUGIIJNOTPRMLM-UHFFFAOYSA-N	2	0	394.216	2.438	1	0		GEAFRP
C[NH+]1CCN(CCCn2c(N)[nH+]c3ccc(C(=O)c4ccccc4)cc32)CC1	ZINC000084705144	211173975	/nfs/dbraw/zinc/17/39/75/211173975.db2.gz	FESOKHGNMLLZIJ-UHFFFAOYSA-N	2	0	377.492	2.487	1	0		GEAFRP
Nc1ccc(-c2ccncc2)nc1C(=O)Nc1c[nH+]ccc1N1CCC[C@H]([NH3+])C1	ZINC000103236841	136190971	/nfs/dbraw/zinc/19/09/71/136190971.db2.gz	BBACLPBEICBLTD-HNNXBMFYSA-N	2	0	389.463	2.301	1	0		GEAFRP
Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1C[NH+](C)C	ZINC000013863366	221292724	/nfs/dbraw/zinc/29/27/24/221292724.db2.gz	KJJDJFMHYGBDRW-UGKGYDQZSA-N	2	0	381.520	2.394	1	0		GEAFRP
O=C([C@H]1C[C@@H](Oc2ccc(F)cc2)C[NH2+]1)N1CCC[N@@H+](C2CCCC2)CC1	ZINC000072179780	222216535	/nfs/dbraw/zinc/21/65/35/222216535.db2.gz	NMGQVIBOWRVISE-WOJBJXKFSA-N	2	0	375.488	2.412	1	0		GEAFRP
[NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc3c(c2)CCC3)cc1	ZINC000034804679	581096613	/nfs/dbraw/zinc/09/66/13/581096613.db2.gz	FVIQCYPEJUJZQG-UHFFFAOYSA-N	2	0	387.549	2.135	1	0		GEAFRP
NC(=[NH2+])c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(N)=[NH2+])cc3)o2)cc1	ZINC000001663225	212252442	/nfs/dbraw/zinc/25/24/42/212252442.db2.gz	MHHCPSVNHPUONM-UHFFFAOYSA-N	2	0	390.403	2.352	1	0		GEAFRP
O=C(C1CC[NH+](C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1)N1CCOCC1	ZINC000013593968	221275717	/nfs/dbraw/zinc/27/57/17/221275717.db2.gz	GXWUSJPGQQWXEK-IBGZPJMESA-N	2	0	375.557	2.378	3	0		GEAFRP