smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)NC2CCN(C)CC2)S1(=O)=O	ZINC000217031231	568875550	/nfs/dbraw/zinc/87/55/50/568875550.db2.gz	SIQARDZOUWYSJT-UHFFFAOYSA-N	0	3	435.546	1.981	40	30		IDEBHN
Cc1nc(Nc2nc(C(=O)NCCN(C)C)cs2)cc([C@H]2CCCN(CC#N)C2)n1	ZINC000585294025	557233891	/nfs/dbraw/zinc/23/38/91/557233891.db2.gz	MWVUXEMFSKTDKR-HNNXBMFYSA-N	0	3	428.566	1.980	40	30		IDEBHN
C#CCNC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(C(F)(F)F)cc2)N1C	ZINC000022923445	556341367	/nfs/dbraw/zinc/34/13/67/556341367.db2.gz	XSWAIOAWCGLRKR-NSHGMRRFSA-N	0	3	436.478	1.608	40	30	biogenic,in-vitro	IDEBHN
C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC2CCN(C)CC2)C[C@H](C)O1	ZINC000059489998	557826138	/nfs/dbraw/zinc/82/61/38/557826138.db2.gz	SIGHGFDZJOXNGN-KBPBESRZSA-N	0	3	425.511	1.886	40	30		IDEBHN
C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC2CCN(C)CC2)C[C@@H](C)O1	ZINC000059489999	557826060	/nfs/dbraw/zinc/82/60/60/557826060.db2.gz	SIGHGFDZJOXNGN-ZIAGYGMSSA-N	0	3	425.511	1.886	40	30		IDEBHN
Cc1nc(Nc2nc(C(=O)NCCN(C)C)cs2)cc([C@@H]2CCCN(CC#N)C2)n1	ZINC000585294033	557233829	/nfs/dbraw/zinc/23/38/29/557233829.db2.gz	MWVUXEMFSKTDKR-OAHLLOKOSA-N	0	3	428.566	1.980	40	30		IDEBHN
C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N=NC2CCN(C)CC2)C[C@H](C)O1	ZINC000059489997	557826120	/nfs/dbraw/zinc/82/61/20/557826120.db2.gz	SIGHGFDZJOXNGN-OKILXGFUSA-N	0	3	425.511	1.886	40	30		IDEBHN