smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1	ZINC000001863779	209340842	/nfs/dbraw/zinc/34/08/42/209340842.db2.gz	YJVIZWSOLWXDRJ-UHFFFAOYSA-N	-1	1	386.480	0.790	1	0		GCAFMM
Nc1nc2c(ncn2C[C@H](CO)C[C@H](c2ccccc2)[P@](=O)([O-])O)c(N)n1	ZINC000001633684	209335885	/nfs/dbraw/zinc/33/58/85/209335885.db2.gz	KAQNXSYMGQYOGG-ZYHUDNBSSA-N	-1	1	392.356	0.908	1	0		GCAFMM
Nc1nc2c(ncn2C[C@@H](CO)C[C@H](c2ccccc2)[P@](=O)([O-])O)c(=O)[nH]1	ZINC000001633678	209335749	/nfs/dbraw/zinc/33/57/49/209335749.db2.gz	LDONEGMWBLHASZ-CMPLNLGQSA-N	-1	1	393.340	0.619	1	0		GCAFMM
CCN(CC)c1nc(N)nc2c1ncn2C[C@@H](CF)OC[P@](=O)([O-])O	ZINC000071319172	211044945	/nfs/dbraw/zinc/04/49/45/211044945.db2.gz	YUGPVYOFDUMEBM-SECBINFHSA-N	-1	1	376.329	0.745	1	0		GCAFMM
CCCC(=O)O[C@@H](COC(=O)CC)CO[P@](=O)([O-])OC[C@H]([NH3+])C(=O)[O-]	ZINC000014768381	560226125	/nfs/dbraw/zinc/22/61/25/560226125.db2.gz	UNJJBGNPUUVVFQ-UWVGGRQHSA-N	-1	1	385.306	0.197	1	0	in-vitro	GCAFMM
C[C@@H]1CCC(C(=O)[O-])=C(NC(=O)[C@@H](N)Cc2nc(-c3ccc(O)cn3)no2)C1	ZINC000071418534	211048887	/nfs/dbraw/zinc/04/88/87/211048887.db2.gz	AZRYCCXGUQHARW-SKDRFNHKSA-N	-1	1	387.396	0.982	1	0		GCAFMM
Nc1nc2c(ncn2Cc2cccc(COCC[P@](=O)([O-])O)c2)c(=O)[nH]1	ZINC000001534070	209332166	/nfs/dbraw/zinc/33/21/66/209332166.db2.gz	PYKIAEBUIBMDDT-UHFFFAOYSA-N	-1	1	379.313	0.444	1	0		GCAFMM
CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000028229553	210522958	/nfs/dbraw/zinc/52/29/58/210522958.db2.gz	OBKOPLHSRDATFO-JYJNAYRXSA-N	-1	1	377.441	0.478	1	0		GCAFMM
NC(=O)[C@H](Cc1ccccc1)n1c(=O)[n-]c(=O)n(-c2ccc(Cl)cc2)c1=O	ZINC000038844507	205040465	/nfs/dbraw/zinc/04/04/65/205040465.db2.gz	HOTFASLBBFTCBD-AWEZNQCLSA-N	-1	1	386.795	0.610	1	0		GCAFMM
CN1CCOC[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c([O-])c(=O)n1C	ZINC000028713014	210532809	/nfs/dbraw/zinc/53/28/09/210532809.db2.gz	MMPZNODECHHWIW-ZDUSSCGKSA-N	-1	1	376.388	0.558	1	0		GCAFMM
C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000039829005	205043841	/nfs/dbraw/zinc/04/38/41/205043841.db2.gz	LBSARGIQACMGDF-WBAXXEDZSA-N	-1	1	383.448	0.873	1	0		GCAFMM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(CSC(=S)N3CCNCC3)S[C@H]12	ZINC000003927513	204021662	/nfs/dbraw/zinc/02/16/62/204021662.db2.gz	GYVKYUCDWHRWSD-VFWDIBGWSA-N	-1	1	389.524	0.118	1	0		GCAFMM
CC1(C)O[C@@H]2[C@@H](CC[P@](=O)([O-])O)O[C@@H](c3nc(C(N)=O)cs3)[C@@H]2O1	ZINC000017140366	210206349	/nfs/dbraw/zinc/20/63/49/210206349.db2.gz	SOEARYYVKAIDJY-ZYUZMQFOSA-N	-1	1	378.343	0.770	1	0		GCAFMM
Nc1nc2c(ncn2C[C@H](CO)C[C@H](c2ccccc2)[P@](=O)([O-])O)c(=O)[nH]1	ZINC000001633680	212252271	/nfs/dbraw/zinc/25/22/71/212252271.db2.gz	LDONEGMWBLHASZ-ZYHUDNBSSA-N	-1	1	393.340	0.619	1	0		GCAFMM
CCCn1c(=O)n([C@@H]2CC[C@@H](CO)O2)c2nc(NC(=O)C(C)(C)C)[n-]c(=O)c21	ZINC000027108996	207322031	/nfs/dbraw/zinc/32/20/31/207322031.db2.gz	HNSBLHZWZZPCPR-QWRGUYRKSA-N	-1	1	393.444	0.951	1	0		GCAFMM
CCCn1c(=O)n([C@@H]2CC[C@H](COC(C)=O)O2)c2nc(NC(C)=O)[n-]c(=O)c21	ZINC000027108441	207322111	/nfs/dbraw/zinc/32/21/11/207322111.db2.gz	YXHMJAHIZJNKHX-NEPJUHHUSA-N	-1	1	393.400	0.495	1	0		GCAFMM
[NH3+][C@@H](Cc1cc(I)ccc1CC[P@](=O)([O-])O)C(=O)[O-]	ZINC000001535753	206386281	/nfs/dbraw/zinc/38/62/81/206386281.db2.gz	HAIQOZCTXWTJMQ-JTQLQIEISA-N	-1	1	399.121	0.966	1	0		GCAFMM
CCN(CC)c1nc(N)nc2c1ncn2C[C@H](CF)OC[P@](=O)([O-])O	ZINC000071317687	222180063	/nfs/dbraw/zinc/18/00/63/222180063.db2.gz	YUGPVYOFDUMEBM-VIFPVBQESA-N	-1	1	376.329	0.745	1	0		GCAFMM
CC1(C)O[C@H]2[C@H](c3nc(C(N)=O)cs3)O[C@@H](CC[P@](=O)([O-])O)[C@H]2O1	ZINC000001584526	206387403	/nfs/dbraw/zinc/38/74/03/206387403.db2.gz	SOEARYYVKAIDJY-SGIHWFKDSA-N	-1	1	378.343	0.770	1	0		GCAFMM
Nc1nc2c(ncn2Cc2ccccc2OCCC[P@](=O)([O-])O)c(=O)[nH]1	ZINC000013834095	221292357	/nfs/dbraw/zinc/29/23/57/221292357.db2.gz	OJNSVMIPSNMEFV-UHFFFAOYSA-N	-1	1	379.313	0.697	1	0		GCAFMM
CSCC[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)C(=O)[O-]	ZINC000027745688	221659281	/nfs/dbraw/zinc/65/92/81/221659281.db2.gz	RJVZMGQMJOQIAX-CABCVRRESA-N	-1	1	392.481	0.476	1	0		GCAFMM
Nc1nc2c(ncn2C[C@H](CO)C[C@@H](c2ccccc2)[P@](=O)([O-])O)c(=O)[nH]1	ZINC000001633681	206386769	/nfs/dbraw/zinc/38/67/69/206386769.db2.gz	LDONEGMWBLHASZ-PWSUYJOCSA-N	-1	1	393.340	0.619	1	0		GCAFMM
CC1(CCC(=O)N[C@@H](Cn2cncn2)C[P@](=O)([O-])O)SCCS1	ZINC000026176674	207310139	/nfs/dbraw/zinc/31/01/39/207310139.db2.gz	ODXSTNIZJNXYRL-JTQLQIEISA-N	-1	1	380.432	0.917	1	0		GCAFMM
CCCC[P@](=O)([O-])CNC(=O)[C@H](CC(C)C)NC(=O)CC[C@H]([NH3+])C(=O)[O-]	ZINC000028566990	207344396	/nfs/dbraw/zinc/34/43/96/207344396.db2.gz	SCVMMQICKDRNMD-STQMWFEESA-N	-1	1	393.421	0.854	1	0		GCAFMM
CC[C@H](NCc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)[P@](=O)([O-])O	ZINC000026506126	207314532	/nfs/dbraw/zinc/31/45/32/207314532.db2.gz	HFKRVPQZLUFYNY-SECBINFHSA-N	-1	1	392.146	0.982	1	0		GCAFMM
CC[C@H]([NH2+]Cc1cc(Br)cc2[nH]c(=O)c(=O)[nH]c12)P(=O)([O-])[O-]	ZINC000026506126	207314535	/nfs/dbraw/zinc/31/45/35/207314535.db2.gz	HFKRVPQZLUFYNY-SECBINFHSA-N	-1	1	392.146	0.982	1	0		GCAFMM
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)N[C@@H](C)C(=O)[O-]	ZINC000013733586	221285594	/nfs/dbraw/zinc/28/55/94/221285594.db2.gz	LAFIJJOQVCCNOS-JQFCIGGWSA-N	-1	1	393.484	0.946	1	0		GCAFMM
Nc1nc2c(ncn2C[C@@H](CO)C[C@@H](c2ccccc2)[P@](=O)([O-])O)c(=O)[nH]1	ZINC000001633679	206387103	/nfs/dbraw/zinc/38/71/03/206387103.db2.gz	LDONEGMWBLHASZ-JQWIXIFHSA-N	-1	1	393.340	0.619	1	0		GCAFMM
CCCn1c(=O)n([C@H]2CC[C@H](COC(C)=O)O2)c2nc(NC(C)=O)[n-]c(=O)c21	ZINC000027108444	207323080	/nfs/dbraw/zinc/32/30/80/207323080.db2.gz	YXHMJAHIZJNKHX-VXGBXAGGSA-N	-1	1	393.400	0.495	1	0		GCAFMM
CN1CCOC[C@@H]1c1nc(C(=O)NCc2ccc(F)cc2)c([O-])c(=O)n1C	ZINC000028713013	207346430	/nfs/dbraw/zinc/34/64/30/207346430.db2.gz	MMPZNODECHHWIW-CYBMUJFWSA-N	-1	1	376.388	0.558	1	0		GCAFMM
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN(CCc1ccccc1)CC(=O)[O-]	ZINC000095921295	208239855	/nfs/dbraw/zinc/23/98/55/208239855.db2.gz	GGPUXIJTYUPCEL-INIZCTEOSA-N	-1	1	388.424	0.239	1	0	in-vitro	GCAFMM
CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2ccc(C)cc2)[C@H]1O[P@H](=O)[O-]	ZINC000014976471	221323208	/nfs/dbraw/zinc/32/32/08/221323208.db2.gz	GZFPNFSOEAXALX-KDBYPZKRSA-N	-1	1	391.382	0.302	1	0		GCAFMM
COc1cc2c(cc1OC)C(c1cccc(N)c1)=Nn1c(n[n-]c(=O)c1=O)C2	ZINC000027209670	207323309	/nfs/dbraw/zinc/32/33/09/207323309.db2.gz	GOLAALJGIFEBOE-UHFFFAOYSA-N	-1	1	379.376	0.736	1	0		GCAFMM
COc1cc2c(cc1OC)C(c1ccc(N)cc1)=Nn1c(n[n-]c(=O)c1=O)C2	ZINC000027205914	207324173	/nfs/dbraw/zinc/32/41/73/207324173.db2.gz	BFTCLIXUGWWYCP-UHFFFAOYSA-N	-1	1	379.376	0.736	1	0		GCAFMM