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(COc1ccccc1)N[C@H](Cn1cncn1)C[P@@](=O)([O-])O	ZINC000026162602	202139980	/nfs/dbraw/zinc/13/99/80/202139980.db2.gz	LWPVRQFHZOSLCV-LLVKDONJSA-N	-1	1	340.276	0.020	1	0		ECAFMM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](OC[P@](=O)([O-])O)C[C@@H]1F	ZINC000029039084	202180510	/nfs/dbraw/zinc/18/05/10/202180510.db2.gz	PPNFMHOPVHTTMD-JFWOZONXSA-N	-1	1	333.216	0.143	1	0		ECAFMM
CC(C)(C)c1[nH]cnc1C=c1[n-]c(=O)c(=Cc2ccco2)[nH]c1=O	ZINC000034987648	202282784	/nfs/dbraw/zinc/28/27/84/202282784.db2.gz	PPSPADHFUNQYCP-AJDRMPRJSA-N	-1	1	326.356	0.334	1	0		ECAFMM
CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccccn2)[n-]c1=O	ZINC000034987647	213003989	/nfs/dbraw/zinc/00/39/89/213003989.db2.gz	DNNKGWRWUFRBAI-QKPPEBSVSA-N	-1	1	337.383	0.136	1	0		ECAFMM
Cc1cc(=O)n(-c2ccc(OCc3no[n+]([O-])c3C(N)=O)cc2)[n-]1	ZINC000040428675	213302301	/nfs/dbraw/zinc/30/23/01/213302301.db2.gz	RIZFRBLDWVHSKC-UHFFFAOYSA-N	-1	1	331.288	0.099	1	0		ECAFMM
O=c1[nH]c(=O)n(CC=CC[P@@](=O)([O-])O)cc1Br	ZINC000066101335	215011009	/nfs/dbraw/zinc/01/10/09/215011009.db2.gz	RESRQKJRDNSRDO-OWOJBTEDSA-N	-1	1	325.055	0.033	1	0		ECAFMM
NC(=O)CCC(NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000100388483	574418324	/nfs/dbraw/zinc/41/83/24/574418324.db2.gz	JYMIMYHLIOGGRI-NSHDSACASA-N	-1	1	332.360	0.705	1	0	endogenous,in-vitro	ECAFMM
Cc1cc2[nH]c(SCc3[nH]c(=O)[n-]c(=O)c3Cl)nc(=O)n2n1	ZINC000103288886	219284923	/nfs/dbraw/zinc/28/49/23/219284923.db2.gz	HFJSJCMMILMKBW-UHFFFAOYSA-N	-1	1	340.752	0.048	1	0		ECAFMM
Cc1cc2nc(SCc3[nH]c(=O)[nH]c(=O)c3Cl)nc(=O)n2[n-]1	ZINC000103288886	219284924	/nfs/dbraw/zinc/28/49/24/219284924.db2.gz	HFJSJCMMILMKBW-UHFFFAOYSA-N	-1	1	340.752	0.048	1	0		ECAFMM
CC(C)(C)c1[nH]cnc1C=c1[nH]c(=O)c(=Cc2ccoc2)[n-]c1=O	ZINC000102974575	219244829	/nfs/dbraw/zinc/24/48/29/219244829.db2.gz	UWPSNVSAKUBXSY-QXFGSWAMSA-N	-1	1	326.356	0.334	1	0		ECAFMM
CC1(C)S[C@@H]2[C@H](N=CN3CCCCCC3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000027523506	212560372	/nfs/dbraw/zinc/56/03/72/212560372.db2.gz	BWWVAEOLVKTZFQ-NTZNESFSSA-O	-1	1	326.442	0.706	1	0		ECAFMM
Cc1ccc(C=c2[nH]c(=O)c(=Cc3nc[nH]c3C(C)(C)C)[n-]c2=O)o1	ZINC000102971626	219245088	/nfs/dbraw/zinc/24/50/88/219245088.db2.gz	ZGHZNHLZIXITAE-PVRNWPCDSA-N	-1	1	340.383	0.643	1	0		ECAFMM
O=C1c2cccc3c2N(CCN1[C@@H]1CN2CCC1CC2)S(=O)(=O)[N-]3	ZINC000166654540	534848825	/nfs/dbraw/zinc/84/88/25/534848825.db2.gz	FOVPMEXFLUOBRL-CQSZACIVSA-N	-1	1	348.428	0.713	1	0		ECAFMM
Nc1nc2c(ncn2Cc2ccccc2C=C[P@](=O)([O-])O)c(=O)[nH]1	ZINC000002014100	581100149	/nfs/dbraw/zinc/10/01/49/581100149.db2.gz	ZIHFEHLASQGCRW-AATRIKPKSA-N	-1	1	347.271	0.899	1	0		ECAFMM
Cc1c(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])ccc2[nH+]c(N)nc(N)c12	ZINC000025971385	202138009	/nfs/dbraw/zinc/13/80/09/202138009.db2.gz	AUDXDSRGCVXLIU-VIFPVBQESA-N	-1	1	347.331	0.150	1	0		ECAFMM
Cc1c(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])ccc2[nH+]c(N)nc(N)c12	ZINC000025971392	202137692	/nfs/dbraw/zinc/13/76/92/202137692.db2.gz	AUDXDSRGCVXLIU-SECBINFHSA-N	-1	1	347.331	0.150	1	0		ECAFMM
CC1(C)NCCn2c(=O)c([O-])c(C(=O)NCc3ccc(F)cc3)nc21	ZINC000036518198	202326019	/nfs/dbraw/zinc/32/60/19/202326019.db2.gz	LZJPQUXPORHTNN-UHFFFAOYSA-N	-1	1	346.362	0.856	1	0		ECAFMM
O=C(Cc1cccs1)N[C@@H](Cn1cncn1)C[P@@](=O)([O-])O	ZINC000026184463	202140183	/nfs/dbraw/zinc/14/01/83/202140183.db2.gz	OAOXCHCWXUMKPH-VIFPVBQESA-N	-1	1	330.306	0.245	1	0		ECAFMM
Nc1ncnc2c1ncn2[C@@H]1C[C@H](CC[P@](=O)([O-])O)C[C@@H]1O	ZINC000029308546	202184206	/nfs/dbraw/zinc/18/42/06/202184206.db2.gz	CSGNCBBJDOJZRT-YIZRAAEISA-N	-1	1	327.281	0.288	1	0		ECAFMM
O=c1[nH]c(=O)n(CC=CCC[P@@](=O)([O-])O)cc1Br	ZINC000066103521	215011539	/nfs/dbraw/zinc/01/15/39/215011539.db2.gz	UBSZOBUHNRQZAW-OWOJBTEDSA-N	-1	1	339.082	0.423	1	0		ECAFMM
Cc1cnn2c1[nH]c(SCc1[nH]c(=O)[n-]c(=O)c1Cl)nc2=O	ZINC000103288847	219284869	/nfs/dbraw/zinc/28/48/69/219284869.db2.gz	FBEVSRBGVWZVRF-UHFFFAOYSA-N	-1	1	340.752	0.048	1	0		ECAFMM
Nc1nc2c(cnn2COCCCCC[P@](=O)([O-])O)c(=O)[nH]1	ZINC000013604177	581100351	/nfs/dbraw/zinc/10/03/51/581100351.db2.gz	GQKAJGFILWNZTA-UHFFFAOYSA-N	-1	1	331.269	0.436	1	0		ECAFMM
NC(=O)CCC(NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000100388478	574418338	/nfs/dbraw/zinc/41/83/38/574418338.db2.gz	JYMIMYHLIOGGRI-LLVKDONJSA-N	-1	1	332.360	0.705	1	0	endogenous,in-vitro	ECAFMM
NC(=O)CC[C@H](NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)C(=O)[O-]	ZINC000040564868	213351530	/nfs/dbraw/zinc/35/15/30/213351530.db2.gz	VSZVSSYQFUFEQG-GJZGRUSLSA-N	-1	1	343.383	0.545	1	0		ECAFMM
C[C@@]1(OC[P@](=O)([O-])O)C=C[C@H](n2cnc3c2ncnc3N)C1	ZINC000040892409	213397764	/nfs/dbraw/zinc/39/77/64/213397764.db2.gz	WXKOPEQNRLPQSM-QPUJVOFHSA-N	-1	1	325.265	0.820	1	0		ECAFMM
CC(C)CCNC(=O)CNC(=O)[C@H](Cc1ccccc1)N([O-])C=O	ZINC000036322534	213084491	/nfs/dbraw/zinc/08/44/91/213084491.db2.gz	IDUBMOGCWJSFJI-HNNXBMFYSA-N	-1	1	335.404	0.724	1	0		ECAFMM
CC(C)CCNC(=O)CNC(=O)[C@@H](Cc1ccccc1)N([O-])C=O	ZINC000036322530	213084156	/nfs/dbraw/zinc/08/41/56/213084156.db2.gz	IDUBMOGCWJSFJI-OAHLLOKOSA-N	-1	1	335.404	0.724	1	0		ECAFMM
O=C(Nc1cccc(C(F)(F)F)c1)C(O)=C1NC(=S)[N-]C1=O	ZINC000102960084	219244151	/nfs/dbraw/zinc/24/41/51/219244151.db2.gz	OGOXFBDSAVPZJB-SSDOTTSWSA-N	-1	1	331.275	0.586	1	0		ECAFMM
O=C(Nc1cccc(C(F)(F)F)c1)C(O)=C1NC(=S)[N-]C1=O	ZINC000102960086	219244019	/nfs/dbraw/zinc/24/40/19/219244019.db2.gz	OGOXFBDSAVPZJB-ZETCQYMHSA-N	-1	1	331.275	0.586	1	0		ECAFMM