smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C(C)C	ZINC000036150945	518303861	/nfs/dbraw/zinc/30/38/61/518303861.db2.gz	WNHRMGIGBFXWLP-FQEVSTJZSA-N	1	0	413.518	2.399	10	30		HEEERO
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CC[NH+](Cc1ccc(OC)c(C)c1)CC2	ZINC000072161282	558540615	/nfs/dbraw/zinc/54/06/15/558540615.db2.gz	ITGSUHCRPLNCOM-SFHVURJKSA-N	1	0	402.491	2.477	10	30		HEEERO
C=C[C@]12C=CC[N@@H+]3CC[C@@]4(c5cc(OC(C)=O)ccc5NC(=O)[C@@]4(C(=O)OC)C1)[C@@H]32	ZINC000096023687	568685956	/nfs/dbraw/zinc/68/59/56/568685956.db2.gz	WNMYJNHYRVHLTP-XSEFMFLKSA-N	1	0	408.454	2.181	10	30		HEEERO
COc1cc2nc(N3CCC[C@@H]([NH3+])C3)n(Cc3ccccc3C#N)c(=O)c2cc1OC	ZINC000006716416	536895679	/nfs/dbraw/zinc/89/56/79/536895679.db2.gz	PHJKYNSEJIZCAD-QGZVFWFLSA-N	1	0	419.485	2.261	10	30		HEEERO
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N(C)CC[NH+](CC)CC)C2	ZINC000023353772	519289087	/nfs/dbraw/zinc/28/90/87/519289087.db2.gz	HFTSFTQWSMUMNQ-GOSISDBHSA-N	1	0	419.639	2.389	10	30		HEEERO
C=CCON1C(=O)C[C@H](C(=O)OC)C12CC[NH+](Cc1ccc(OC)c(C)c1)CC2	ZINC000072161283	558540662	/nfs/dbraw/zinc/54/06/62/558540662.db2.gz	ITGSUHCRPLNCOM-GOSISDBHSA-N	1	0	402.491	2.477	10	30		HEEERO
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N(C)CC[NH+](CC)CC)C2	ZINC000023353775	519289253	/nfs/dbraw/zinc/28/92/53/519289253.db2.gz	HFTSFTQWSMUMNQ-SFHVURJKSA-N	1	0	419.639	2.389	10	30		HEEERO
N#Cc1cccc(C[NH2+][C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2cc(COc3ccccc3)nn2)c1	ZINC000067899020	291211373	/nfs/dbraw/zinc/21/13/73/291211373.db2.gz	MVMFZUFFTZCSDY-MYDTUXCISA-N	1	0	417.469	2.226	10	30		HEEERO
C#CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N1CCOCC1)C(C)C	ZINC000036150947	518311084	/nfs/dbraw/zinc/31/10/84/518311084.db2.gz	WNHRMGIGBFXWLP-HXUWFJFHSA-N	1	0	413.518	2.399	10	30		HEEERO
COCC(=O)Nc1ncncc1-c1noc([C@@H]2CCCN2Cc2ccc(C#N)cc2)n1	ZINC000035425607	291206264	/nfs/dbraw/zinc/20/62/64/291206264.db2.gz	AYSRPYWCACLVMB-KRWDZBQOSA-N	1	0	419.445	2.320	10	30		HEEERO