smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c(=O)[n-]cnc1NCc1cccnc1	ZINC000027901800	181078341	/nfs/dbraw/zinc/07/83/41/181078341.db2.gz	UCDPGVXSGNVBKL-UHFFFAOYSA-N	-1	1	227.227	0.649	1	30		BCEFMM
CCC(=O)N(O)C[C@@H]1C[C@H]1[P@](=O)([O-])O	ZINC000013686196	168213704	/nfs/dbraw/zinc/21/37/04/168213704.db2.gz	HHEIMEHJOWXXGX-NTSWFWBYSA-N	-1	1	223.165	0.180	1	30		BCEFMM
CCC[C@@H](CCN(O)C(C)=O)[P@](=O)([O-])O	ZINC000013644209	169381850	/nfs/dbraw/zinc/38/18/50/169381850.db2.gz	JTGWCTDCLRMUIK-QMMMGPOBSA-N	-1	1	239.208	0.961	1	30		BCEFMM
COc1ccc(NN=C(C#N)c2nn[n-]n2)cc1	ZINC000103274110	175138948	/nfs/dbraw/zinc/13/89/48/175138948.db2.gz	IDRRUTXJGFVWPM-UKTHLTGXSA-N	-1	1	243.230	0.548	1	30		BCEFMM
N#CC(=NNc1ccc(F)cc1)c1nn[n-]n1	ZINC000103272332	181025451	/nfs/dbraw/zinc/02/54/51/181025451.db2.gz	JNXXFTNBOWGMKV-MDWZMJQESA-N	-1	1	231.194	0.679	1	30		BCEFMM
CCC(=O)N(O)CCC[P@](=O)([O-])O	ZINC000096273656	168213499	/nfs/dbraw/zinc/21/34/99/168213499.db2.gz	WKIFNQPSYJPTSA-UHFFFAOYSA-N	-1	1	211.154	0.182	1	30		BCEFMM
COC(=O)c1ccc2c(c1)N([O-])C(=O)CO2	ZINC000035079146	132337721	/nfs/dbraw/zinc/33/77/21/132337721.db2.gz	CHVHWMOUAAVMKL-UHFFFAOYSA-N	-1	1	223.184	0.588	1	30		BCEFMM
CC(=O)N(O)[C@H]1CC[C@H]([P@](=O)([O-])O)C1	ZINC000013644106	187251363	/nfs/dbraw/zinc/25/13/63/187251363.db2.gz	BVFGMYZIZBWGSZ-BQBZGAKWSA-N	-1	1	223.165	0.323	1	30		BCEFMM
CC(=O)N(O)C[C@H](C)C[P@](=O)([O-])O	ZINC000013644048	188280200	/nfs/dbraw/zinc/28/02/00/188280200.db2.gz	IHWCDDPJHBMTAV-YFKPBYRVSA-N	-1	1	211.154	0.038	1	30		BCEFMM
O=C1c2c(O)cccc2C(=O)C([N+](=O)[O-])=C1[O-]	ZINC000039215344	187262801	/nfs/dbraw/zinc/26/28/01/187262801.db2.gz	JXXAOQQXFMHDTO-UHFFFAOYSA-N	-1	1	235.151	0.818	1	30		BCEFMM
CCCC(=O)CC(=O)C1=C([O-])COC1=O	ZINC000169309525	188338213	/nfs/dbraw/zinc/33/82/13/188338213.db2.gz	UBGUJQIHQQCXDZ-UHFFFAOYSA-N	-1	1	212.201	0.684	1	30		BCEFMM
CCCC(=O)C=C(O)C1=C([O-])COC1=O	ZINC000169309525	188338214	/nfs/dbraw/zinc/33/82/14/188338214.db2.gz	UBGUJQIHQQCXDZ-UHFFFAOYSA-N	-1	1	212.201	0.684	1	30		BCEFMM
Cc1cc([N+](=O)[O-])cc(C(=O)Nc2nn[n-]n2)n1	ZINC000028259221	178270384	/nfs/dbraw/zinc/27/03/84/178270384.db2.gz	AIGZZHBFANHOHH-UHFFFAOYSA-N	-1	1	249.190	0.448	1	30		BCEFMM
NC(=O)C(/C=C1\CCCC[C@@H]1[N+](=O)[O-])=N\[O-]	ZINC000013901364	181212716	/nfs/dbraw/zinc/21/27/16/181212716.db2.gz	VZSRCCUSUJMUKS-JMUXUQTESA-N	-1	1	227.220	0.448	1	30		BCEFMM
NC(=O)C(/C=C1\CCCC[C@H]1[N+](=O)[O-])=N\[O-]	ZINC000003923416	181213378	/nfs/dbraw/zinc/21/33/78/181213378.db2.gz	VZSRCCUSUJMUKS-BRYRBXBRSA-N	-1	1	227.220	0.448	1	30		BCEFMM
COC(=O)c1ccc2c(c1)OCC(=O)N2[O-]	ZINC000034469501	132336573	/nfs/dbraw/zinc/33/65/73/132336573.db2.gz	ZMWNJEMHNHRWBY-UHFFFAOYSA-N	-1	1	223.184	0.588	1	30		BCEFMM
Cc1ccccc1NN=C(C#N)c1nn[n-]n1	ZINC000103274098	179295539	/nfs/dbraw/zinc/29/55/39/179295539.db2.gz	QAAAQXFCNRTIHR-UKTHLTGXSA-N	-1	1	227.231	0.848	1	30		BCEFMM
O=C1c2c(O)cc(O)c(O)c2C(=O)C(O)=C1[O-]	ZINC000014647671	187391202	/nfs/dbraw/zinc/39/12/02/187391202.db2.gz	HYVDWYISUNRFCU-UHFFFAOYSA-N	-1	1	238.151	0.510	1	30		BCEFMM
N#Cc1cccc(NC(=O)C[P@@](=O)([O-])O)c1	ZINC000096907991	181140587	/nfs/dbraw/zinc/14/05/87/181140587.db2.gz	GTWLUASQALKOIE-UHFFFAOYSA-N	-1	1	240.155	0.674	1	30		BCEFMM
O=C(Cn1ccc(=O)nc1)c1ccc([O-])c(O)c1	ZINC000101642390	182032795	/nfs/dbraw/zinc/03/27/95/182032795.db2.gz	WEFUYDNCEJDJEE-UHFFFAOYSA-O	-1	1	247.230	0.369	1	30		BCEFMM
CC(C)/C(=C\C(=N\[O-])C(N)=O)[C@@H](C)[N+](=O)[O-]	ZINC000040489116	188117951	/nfs/dbraw/zinc/11/79/51/188117951.db2.gz	LFYLTBOMFSNRGD-CQPNIGQWSA-N	-1	1	229.236	0.550	1	30		BCEFMM
CC(C)CC(=O)N(O)CCC[P@](=O)([O-])O	ZINC000013644087	188105659	/nfs/dbraw/zinc/10/56/59/188105659.db2.gz	BHWAEDFCZWJJJK-UHFFFAOYSA-N	-1	1	239.208	0.818	1	30		BCEFMM
C=C[C@H]1[C@H]2Cc3c(-c4nnn[n-]4)n[nH]c3[C@H]21	ZINC000049045578	188218859	/nfs/dbraw/zinc/21/88/59/188218859.db2.gz	UCNBXLZANXGQAD-BFHQHQDPSA-N	-1	1	214.232	0.662	1	30		BCEFMM
C=C[C@H]1[C@H]2Cc3c(-c4nn[n-]n4)n[nH]c3[C@H]21	ZINC000049045578	188218860	/nfs/dbraw/zinc/21/88/60/188218860.db2.gz	UCNBXLZANXGQAD-BFHQHQDPSA-N	-1	1	214.232	0.662	1	30		BCEFMM
COc1ccccc1NN=C(C#N)c1nn[n-]n1	ZINC000103274106	175335878	/nfs/dbraw/zinc/33/58/78/175335878.db2.gz	YKNXXQSHUCHGSL-MDWZMJQESA-N	-1	1	243.230	0.548	1	30		BCEFMM
CC(C)/C(=C\C(=N\[O-])C(N)=O)[C@H](C)[N+](=O)[O-]	ZINC000027298550	188109746	/nfs/dbraw/zinc/10/97/46/188109746.db2.gz	LFYLTBOMFSNRGD-BEPYNTBJSA-N	-1	1	229.236	0.550	1	30		BCEFMM
N#CC(=NNc1ccccc1F)c1nn[n-]n1	ZINC000103272330	181025438	/nfs/dbraw/zinc/02/54/38/181025438.db2.gz	VXWPIPUHWGYKFQ-MDWZMJQESA-N	-1	1	231.194	0.679	1	30		BCEFMM
NC1=CC(=O)c2[n-]c(-c3ccccn3)nc2C1=O	ZINC000100026675	181337689	/nfs/dbraw/zinc/33/76/89/181337689.db2.gz	HVTCQVWIJORGHX-UHFFFAOYSA-N	-1	1	240.222	0.693	1	30		BCEFMM