smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1O[C@@H](OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)C[C@H]([NH3+])[C@@H]1O	ZINC000084602758	205395374	/nfs/dbraw/zinc/39/53/74/205395374.db2.gz	FGKGGXAKBOJDGK-WCSJZASUSA-N	1	0	399.399	1.213	1	10		GDCFRO
COc1cc(N2CC[C@@H]3c4c(N)nc(N)nc4NC[C@@H]3C2)cc(OC)c1OC	ZINC000034801952	581096114	/nfs/dbraw/zinc/09/61/14/581096114.db2.gz	DUKSWTDASFETGZ-PWSUYJOCSA-N	1	0	386.456	1.702	1	10		GDCFRO
C[C@H]1O[C@@H](OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)C[C@@H]([NH3+])[C@@H]1O	ZINC000084634377	205397024	/nfs/dbraw/zinc/39/70/24/205397024.db2.gz	FGKGGXAKBOJDGK-JXUZQZQASA-N	1	0	399.399	1.213	1	10		GDCFRO
COc1cc(N2CC[C@H]3c4c(N)nc(N)nc4NC[C@H]3C2)cc(OC)c1OC	ZINC000013762712	581096203	/nfs/dbraw/zinc/09/62/03/581096203.db2.gz	DUKSWTDASFETGZ-CMPLNLGQSA-N	1	0	386.456	1.702	1	10		GDCFRO
C[NH+](C)CCNC(=O)c1cccc2c(N)c3cccc(S(C)(=O)=O)c3nc12	ZINC000005957849	204158710	/nfs/dbraw/zinc/15/87/10/204158710.db2.gz	BRQSDCPNGXAKNF-UHFFFAOYSA-N	1	0	386.477	1.665	1	10		GDCFRO
C[NH+](C)CCn1nc2c3c1ccc(NCCN1CC1)c3C(=O)c1ccncc1-2	ZINC000095589655	208236886	/nfs/dbraw/zinc/23/68/86/208236886.db2.gz	PCYXUJWBSZXVGA-UHFFFAOYSA-N	1	0	376.464	1.932	1	10		GDCFRO
COc1cccc2c1ccc1nc3cccc(C(=O)NC[C@@H](O)C[NH3+])c3nc12	ZINC000027854249	207331351	/nfs/dbraw/zinc/33/13/51/207331351.db2.gz	NCOZPIYSIMQETN-LBPRGKRZSA-N	1	0	376.416	1.994	1	10		GDCFRO
COc1cccc2c1ccc1nc3cccc(C(=O)NC[C@H](O)C[NH3+])c3nc12	ZINC000027854256	207331694	/nfs/dbraw/zinc/33/16/94/207331694.db2.gz	NCOZPIYSIMQETN-GFCCVEGCSA-N	1	0	376.416	1.994	1	10		GDCFRO
COc1ccc(N2CCN([C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)cc1	ZINC000028889015	207351882	/nfs/dbraw/zinc/35/18/82/207351882.db2.gz	KFYJNEZPHUKBFQ-WMZOPIPTSA-N	1	0	376.526	1.081	1	10		GDCFRO
C=C1C(=O)OC2=C1C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CC[N@H+]3CC1CC1)[C@H]2O5	ZINC000028088016	207334484	/nfs/dbraw/zinc/33/44/84/207334484.db2.gz	QTMBORSBMGILGD-LNKMKMDRSA-N	1	0	393.439	1.933	1	10		GDCFRO
C[C@@H]1O[C@@H](OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)C[C@H]([NH3+])[C@H]1O	ZINC000084634376	208093910	/nfs/dbraw/zinc/09/39/10/208093910.db2.gz	FGKGGXAKBOJDGK-PJPMGSJGSA-N	1	0	399.399	1.213	1	10		GDCFRO
C[C@@H]1O[C@@H](OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)C[C@@H]([NH3+])[C@H]1O	ZINC000084602757	208093963	/nfs/dbraw/zinc/09/39/63/208093963.db2.gz	FGKGGXAKBOJDGK-UGDBAASPSA-N	1	0	399.399	1.213	1	10		GDCFRO
CCOC(=O)N1CCCN(/[N+](O)=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000013831464	207000447	/nfs/dbraw/zinc/00/04/47/207000447.db2.gz	CBRJDKTVZPKXFR-HKWRFOASSA-N	1	0	398.332	1.839	1	10		GDCFRO
[NH3+]CC[C@@H]1CN([C@@H]2N=C3c4c(O)cccc4C(=O)c4cccc(c43)O2)CCO1	ZINC000096937625	208331919	/nfs/dbraw/zinc/33/19/19/208331919.db2.gz	BEEMSCFIHUUMEC-GTJPDFRWSA-N	1	0	379.416	1.500	1	10		GDCFRO
Cc1ccc(S(=O)(=O)NCC[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)c(O)c2)cc1	ZINC000027717518	207330924	/nfs/dbraw/zinc/33/09/24/207330924.db2.gz	SMDUUUZQDPCUOE-KUHUBIRLSA-N	1	0	394.493	1.786	1	10		GDCFRO
COc1cc(N2CC[C@H]3c4c(N)nc(N)nc4NC[C@@H]3C2)cc(OC)c1OC	ZINC000034801953	581096174	/nfs/dbraw/zinc/09/61/74/581096174.db2.gz	DUKSWTDASFETGZ-ZYHUDNBSSA-N	1	0	386.456	1.702	1	10		GDCFRO
CCOC(=O)N1CCN(/[N+](O)=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1	ZINC000013831450	210093240	/nfs/dbraw/zinc/09/32/40/210093240.db2.gz	GCIYZIRJJOUIEX-LJTKESRTSA-N	1	0	398.332	1.837	1	10		GDCFRO
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2cc[nH+]cc2)cn1	ZINC000095594488	136182536	/nfs/dbraw/zinc/18/25/36/136182536.db2.gz	PBSUJLIVRNZIEB-UHFFFAOYSA-N	1	0	376.424	1.442	1	10		GDCFRO
Nc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CC[NH3+])c4c3)CC2)cc1	ZINC000013743216	221287443	/nfs/dbraw/zinc/28/74/43/221287443.db2.gz	ZACFZWUHIVILBS-UHFFFAOYSA-N	1	0	393.491	1.979	1	10		GDCFRO
CCOC(=O)N1CCN(/[N+](O)=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1	ZINC000013831451	221291580	/nfs/dbraw/zinc/29/15/80/221291580.db2.gz	GCIYZIRJJOUIEX-FBBHVMPDSA-N	1	0	398.332	1.837	1	10		GDCFRO