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(NO)[C@@H](Cc1ccccc1)NCc1cccc2ccccc21	ZINC000095556170	185379764	/nfs/dbraw/zinc/37/97/64/185379764.db2.gz	CVGWYUJDRBFDNH-LJQANCHMSA-N	0	3	320.392	3.046	1	30		DGEFHN
CCCCCCCCCCc1cccc([C@@H](O)[C@@H](N)CO)n1	ZINC000043273972	183349694	/nfs/dbraw/zinc/34/96/94/183349694.db2.gz	TXBKWORHPLZXEV-WMZOPIPTSA-N	0	3	308.466	3.118	1	30		DGEFHN
CN[C@H](C)C#Cc1ccc2sc3cccc(OC)c3c(=O)c2c1	ZINC000015934052	182025140	/nfs/dbraw/zinc/02/51/40/182025140.db2.gz	TWNFFRIBVAWQDI-GFCCVEGCSA-N	0	3	323.417	3.383	3	30		DGEFHN
C=CCN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1cccc(OC)c13	ZINC000064415705	184296681	/nfs/dbraw/zinc/29/66/81/184296681.db2.gz	QZROPLIDAWQBNN-QKLQHJQFSA-N	0	3	311.425	3.119	1	30		DGEFHN
C=CCN1CC[C@]23CC(=O)C[C@H](C)[C@H]2[C@H]1Cc1ccc(O)cc13	ZINC000040791388	183133992	/nfs/dbraw/zinc/13/39/92/183133992.db2.gz	PZHULVXDBMMNAZ-LGWHJFRWSA-N	0	3	311.425	3.062	1	30		DGEFHN
N#CCCN1CCN(Cn2c3ccccc3c3ccccc32)CC1	ZINC000022001051	182303122	/nfs/dbraw/zinc/30/31/22/182303122.db2.gz	JKRZUQDNLQIBLY-UHFFFAOYSA-N	0	3	318.424	3.283	3	30		DGEFHN
O=C(NO)[C@H](Cc1ccccc1)NCc1cccc2ccccc21	ZINC000095556169	185379654	/nfs/dbraw/zinc/37/96/54/185379654.db2.gz	CVGWYUJDRBFDNH-IBGZPJMESA-N	0	3	320.392	3.046	1	30		DGEFHN
Nc1ccc(C#CCCN2CC=C(c3ccccc3)CC2)cn1	ZINC000001533850	180871545	/nfs/dbraw/zinc/87/15/45/180871545.db2.gz	KAPNJGZVRYPTJW-UHFFFAOYSA-N	0	3	303.409	3.195	1	30		DGEFHN
C/C(COc1ccccc1)=N\N=C1\SC(C(C)C)C(=O)N1C	ZINC000095575837	185380496	/nfs/dbraw/zinc/38/04/96/185380496.db2.gz	UVMDTZKLBQSJGV-WNTWJSJISA-N	0	3	319.430	3.027	1	30		DGEFHN
C[C@]12CC[C@H](c3ccccc3)C[C@@]1(O)CC[C@@H]2/C=N/OCCN	ZINC000013471875	181853228	/nfs/dbraw/zinc/85/32/28/181853228.db2.gz	JARRHTMVGICSPH-KLVYGRPLSA-N	0	3	316.445	3.063	1	30		DGEFHN
CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](N)CO	ZINC000059066904	184134500	/nfs/dbraw/zinc/13/45/00/184134500.db2.gz	AERBNCYCJBRYDG-KURKYZTESA-N	0	3	317.514	3.119	1	30	in-vitro	DGEFHN
C=CCN1[C@@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H](c1ccc(F)cc1)C2	ZINC000022011616	182303406	/nfs/dbraw/zinc/30/34/06/182303406.db2.gz	BNBZBLRBYOEGLO-WCXIOVBPSA-N	0	3	303.377	3.121	1	30		DGEFHN
C=CCN1[C@@H]2CC[C@H]1C[C@H](c1ccc(F)cc1)[C@H]2C(=O)OC	ZINC000022011613	182303866	/nfs/dbraw/zinc/30/38/66/182303866.db2.gz	BNBZBLRBYOEGLO-YLFCFFPRSA-N	0	3	303.377	3.121	1	30		DGEFHN
O=C(/C=C/c1ccc2c(c1)CN(CCC1CCCCC1)C2)NO	ZINC000072176868	191070412	/nfs/dbraw/zinc/07/04/12/191070412.db2.gz	KRVGKRFOWVTXGV-VQHVLOKHSA-N	0	3	314.429	3.491	1	30		DGEFHN
CN1OC[C@@H]2CN[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)C[C@@H]21	ZINC000061924034	184195649	/nfs/dbraw/zinc/19/56/49/184195649.db2.gz	HQQPCACSOKYFEO-UFYCRDLUSA-N	0	3	319.408	3.121	3	30		DGEFHN
O[C@]1(C#Cc2ccc(-c3ccccc3)cc2)CN2CCC1CC2	ZINC000001483227	560180696	/nfs/dbraw/zinc/18/06/96/560180696.db2.gz	MWHQFRXYYJSIFR-OAQYLSRUSA-N	0	3	303.405	3.162	1	30	in-vitro	DGEFHN
CO[C@@H]1C=C(CN2CCC(C)CC2)C(=O)[C@H](C2CCCCC2)O1	ZINC000103191504	185437566	/nfs/dbraw/zinc/43/75/66/185437566.db2.gz	IROJOQYYWSZCRV-HKUYNNGSSA-N	0	3	321.461	3.165	1	30		DGEFHN
CN[C@@H](C)C#Cc1ccc2sc3cccc(OC)c3c(=O)c2c1	ZINC000015934051	182025367	/nfs/dbraw/zinc/02/53/67/182025367.db2.gz	TWNFFRIBVAWQDI-LBPRGKRZSA-N	0	3	323.417	3.383	3	30		DGEFHN
N#CCCN1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1	ZINC000022027443	182304766	/nfs/dbraw/zinc/30/47/66/182304766.db2.gz	UFHCIZMKGASAMK-UHFFFAOYSA-N	0	3	321.424	3.090	3	30		DGEFHN
C/C(COc1ccccc1)=N\N=C1\SC(C(C)C)C(=O)N1C	ZINC000095575836	185380391	/nfs/dbraw/zinc/38/03/91/185380391.db2.gz	UVMDTZKLBQSJGV-MASLNYKXSA-N	0	3	319.430	3.027	1	30		DGEFHN
CCCCCCCCCCCCCC[C@@H](O)[C@H](O)[C@H](N)CO	ZINC000059066901	184134490	/nfs/dbraw/zinc/13/44/90/184134490.db2.gz	AERBNCYCJBRYDG-KZNAEPCWSA-N	0	3	317.514	3.119	1	30	in-vitro	DGEFHN
O[C@@]1(C#Cc2ccc(-c3ccccc3)cc2)CN2CCC1CC2	ZINC000003795464	181046204	/nfs/dbraw/zinc/04/62/04/181046204.db2.gz	MWHQFRXYYJSIFR-NRFANRHFSA-N	0	3	303.405	3.162	1	30	in-vitro	DGEFHN