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([O-])C[NH+]1CCN(c2nc(-c3ccccc3)nc3c2CS(=O)(=O)C3)CC1	ZINC000096923877	136187779	/nfs/dbraw/zinc/18/77/79/136187779.db2.gz	BWRKSSVDYYDCFK-UHFFFAOYSA-N	0	2	388.449	0.779	1	0		GCAFLN
CN(C(=O)C(N)=O)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc21	ZINC000034820440	581100023	/nfs/dbraw/zinc/10/00/23/581100023.db2.gz	FFQXHGFOMWLFGH-UHFFFAOYSA-N	0	2	397.366	0.853	1	0		GCAFLN
Cc1cc2c(cc1Cl)S[C@@H](c1c(O)[nH]c(=S)[nH]c1=O)NS2(=O)=O	ZINC000003611285	204015118	/nfs/dbraw/zinc/01/51/18/204015118.db2.gz	MUVQVISOSIPXRJ-NSHDSACASA-N	0	2	391.883	0.506	1	0		GCAFLN
Cc1ncc(CO[P@@](=O)([O-])O)c(C[NH2+][C@@H](CCCC[NH3+])C(=O)[O-])c1O	ZINC000013527831	560218642	/nfs/dbraw/zinc/21/86/42/560218642.db2.gz	GQMAOPRRHWJXFB-LBPRGKRZSA-N	0	2	377.334	0.377	1	0	in-vitro	GCAFLN
Cc1ncc(CO[P@](=O)([O-])O)c(C[NH2+][C@@H](CCCC[NH3+])C(=O)[O-])c1O	ZINC000013527831	560218643	/nfs/dbraw/zinc/21/86/43/560218643.db2.gz	GQMAOPRRHWJXFB-LBPRGKRZSA-N	0	2	377.334	0.377	1	0	in-vitro	GCAFLN
Cc1ncc(CO[P@@](=O)([O-])O)c(C[NH2+]CCCC[C@H]([NH3+])C(=O)[O-])c1O	ZINC000006389756	560205623	/nfs/dbraw/zinc/20/56/23/560205623.db2.gz	FIXMYVJXXYQYGI-LBPRGKRZSA-N	0	2	377.334	0.377	1	0	in-vitro	GCAFLN
Cc1ncc(CO[P@](=O)([O-])O)c(C[NH2+]CCCC[C@H]([NH3+])C(=O)[O-])c1O	ZINC000006389756	560205625	/nfs/dbraw/zinc/20/56/25/560205625.db2.gz	FIXMYVJXXYQYGI-LBPRGKRZSA-N	0	2	377.334	0.377	1	0	in-vitro	GCAFLN
NC(=O)c1ccc(-c2ccc(C(=O)CC3(O)C(=O)NC(=O)NC3=O)cc2)cc1	ZINC000095578902	211278145	/nfs/dbraw/zinc/27/81/45/211278145.db2.gz	OROXFGPUFVFZQS-UHFFFAOYSA-N	0	2	381.344	0.122	1	0		GCAFLN
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H]([NH3+])c3cccc4c3OCO4)[C@@H]2SC1	ZINC000027329409	207324030	/nfs/dbraw/zinc/32/40/30/207324030.db2.gz	WNUHCOHODVWULK-MMPTUQATSA-N	0	2	391.405	0.174	1	0		GCAFLN
Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4cnccn4)CC3)cc21	ZINC000101022063	136189392	/nfs/dbraw/zinc/18/93/92/136189392.db2.gz	LXAZXLQJUFDDSX-UHFFFAOYSA-N	0	2	380.408	0.936	1	0		GCAFLN
CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@H]3O[C@H](CO)[C@@H](O)C[C@H]3O)c2o1	ZINC000095486260	291099619	/nfs/dbraw/zinc/09/96/19/291099619.db2.gz	QWGWBDLODSVMOL-HVFZGPLGSA-N	0	2	378.377	0.483	1	0	biogenic,in-vitro	GCAFLN
COc1ccc(C=c2[nH]c(=CC(=O)c3ccccc3)c(=O)[nH]c2=O)cc1OC	ZINC000100295604	208373134	/nfs/dbraw/zinc/37/31/34/208373134.db2.gz	IIWASLRIFAPVKM-HDVIWIBHSA-N	0	2	378.384	0.573	1	0		GCAFLN
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H]([NH3+])c3cccc4c3OCO4)[C@H]2SC1	ZINC000027329410	207324201	/nfs/dbraw/zinc/32/42/01/207324201.db2.gz	WNUHCOHODVWULK-XMZIXOGTSA-N	0	2	391.405	0.174	1	0		GCAFLN
COc1cc2c(cc1OC)C(c1cccc(N)c1)=Nn1c(n[nH]c(=O)c1=O)C2	ZINC000027209670	207323314	/nfs/dbraw/zinc/32/33/14/207323314.db2.gz	GOLAALJGIFEBOE-UHFFFAOYSA-N	0	2	379.376	0.736	1	0		GCAFLN
COc1cc2c(cc1OC)C(c1ccc(N)cc1)=Nn1c(n[nH]c(=O)c1=O)C2	ZINC000027205914	207324178	/nfs/dbraw/zinc/32/41/78/207324178.db2.gz	BFTCLIXUGWWYCP-UHFFFAOYSA-N	0	2	379.376	0.736	1	0		GCAFLN