smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1noc2ncnc(N3CCC[C@@H](C(=O)NCCCN(C)Cc4ccccc4)C3)c12	ZINC000007004645	132322081	/nfs/dbraw/zinc/32/20/81/132322081.db2.gz	JZTXSWSZMLFDPT-LJQANCHMSA-N	0	3	422.533	2.781	1	0		HFAFHN
COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2CC=C[C@@]([C@H](C)OC(C)=O)(C1)[C@H]23	ZINC000238777524	569053854	/nfs/dbraw/zinc/05/38/54/569053854.db2.gz	KOBBJYSJVBQNKE-PFPQXOPDSA-N	0	3	424.497	2.771	1	0		HFAFHN
CC(C)c1ccccc1OC[C@@H](O)CN1CCC(CN2C(=O)CCCC2=O)CC1	ZINC000049035358	581091909	/nfs/dbraw/zinc/09/19/09/581091909.db2.gz	GTKJMMNKVVZZMQ-IBGZPJMESA-N	0	3	402.535	2.801	1	0		HFAFHN
C[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)C1CCC(N(C)C(=O)c2cccc(F)c2)CC1	ZINC000014963964	581095162	/nfs/dbraw/zinc/09/51/62/581095162.db2.gz	IWHCXFRFGBWWJN-KWAIJXEHSA-N	0	3	407.505	2.990	1	0		HFAFHN
CC[C@H]1Oc2ccccc2N(CC(=O)NCCCN2CCc3ccccc3C2)C1=O	ZINC000002934264	132260159	/nfs/dbraw/zinc/26/01/59/132260159.db2.gz	XVMWKHOPVIATLF-OAQYLSRUSA-N	0	3	407.514	2.755	1	0		HFAFHN
Cc1ncc2c(cccc2N2CCN(CCc3ccc4c(c3)NC(=O)CO4)CC2)n1	ZINC000003959327	132269526	/nfs/dbraw/zinc/26/95/26/132269526.db2.gz	MFXBZHUMNFXYOS-UHFFFAOYSA-N	0	3	403.486	2.634	1	0		HFAFHN
C[C@@H]1c2nc(C(F)(F)F)nn2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F	ZINC000013982511	581095164	/nfs/dbraw/zinc/09/51/64/581095164.db2.gz	FDEXEPZGMKFCTG-PSASIEDQSA-N	0	3	421.345	2.578	1	0	in-vivo	HFAFHN
O=c1c(-c2cccs2)nc2cnc(N3CCNCC3)nc2n1CCc1ccccc1	ZINC000004238658	132273374	/nfs/dbraw/zinc/27/33/74/132273374.db2.gz	NKAHGXMHSIEYNA-UHFFFAOYSA-N	0	3	418.526	2.567	1	0		HFAFHN
Cc1cc(N2CCNCC2)c2c(c1)N(S(=O)(=O)c1ccccc1Cl)CCO2	ZINC000003819420	132268834	/nfs/dbraw/zinc/26/88/34/132268834.db2.gz	AQNHXFSXXLNAMI-UHFFFAOYSA-N	0	3	407.923	2.646	1	0		HFAFHN
OCCn1cnc2c1ncnc2N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000031545075	132227814	/nfs/dbraw/zinc/22/78/14/132227814.db2.gz	RINBFNBBNFPEBN-UHFFFAOYSA-N	0	3	414.513	2.730	1	0		HFAFHN
CC(C)N1CCN(CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1	ZINC000043010255	581094273	/nfs/dbraw/zinc/09/42/73/581094273.db2.gz	GNQOCBGVODGUEX-UHFFFAOYSA-N	0	3	400.445	2.853	1	0		HFAFHN
O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1	ZINC000004238688	132273330	/nfs/dbraw/zinc/27/33/30/132273330.db2.gz	OWRGXZDIORYMBE-UHFFFAOYSA-N	0	3	418.888	2.906	1	0		HFAFHN
Cc1nc2nc(C(=O)N3CCOCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN	ZINC000034661498	581091399	/nfs/dbraw/zinc/09/13/99/581091399.db2.gz	MNRQGIJBOGTUFQ-UHFFFAOYSA-N	0	3	420.300	2.943	1	0	in-vitro	HFAFHN
O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1	ZINC000004238923	132273570	/nfs/dbraw/zinc/27/35/70/132273570.db2.gz	LKJOGGRYFPTRHH-UHFFFAOYSA-N	0	3	422.489	2.512	1	0		HFAFHN
Cc1noc2ncnc(N3CCC[C@H](C(=O)NCCCN(C)Cc4ccccc4)C3)c12	ZINC000007004636	132322092	/nfs/dbraw/zinc/32/20/92/132322092.db2.gz	JZTXSWSZMLFDPT-IBGZPJMESA-N	0	3	422.533	2.781	1	0		HFAFHN
CNCOc1ccc(CC[C@@H](O)CC(=O)CCc2ccc(O)c(OC)c2)cc1OC	ZINC000085626735	291220805	/nfs/dbraw/zinc/22/08/05/291220805.db2.gz	KDIXRGPYKJGXOR-LJQANCHMSA-N	0	3	417.502	2.851	1	0	biogenic,in-vitro	HFAFHN
CC[C@@H]1Oc2ccccc2N(CC(=O)NCCCN2CCc3ccccc3C2)C1=O	ZINC000002934263	132260217	/nfs/dbraw/zinc/26/02/17/132260217.db2.gz	XVMWKHOPVIATLF-NRFANRHFSA-N	0	3	407.514	2.755	1	0		HFAFHN
CCN1CCC[C@@H]1CNC(=O)c1cc(I)cc(OC)c1OC	ZINC000006385011	560205612	/nfs/dbraw/zinc/20/56/12/560205612.db2.gz	APNNSBJHVTUORL-GFCCVEGCSA-N	0	3	418.275	2.523	1	0	in-vitro	HFAFHN
O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1	ZINC000004238678	132273362	/nfs/dbraw/zinc/27/33/62/132273362.db2.gz	XUWAPSCWGPBPHR-UHFFFAOYSA-N	0	3	420.423	2.531	1	0		HFAFHN
CC(C)c1ccccc1OC[C@H](O)CN1CCC(CN2C(=O)CCCC2=O)CC1	ZINC000049035356	581091848	/nfs/dbraw/zinc/09/18/48/581091848.db2.gz	GTKJMMNKVVZZMQ-LJQANCHMSA-N	0	3	402.535	2.801	1	0		HFAFHN