smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=C(O)[C@](C)(Cc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)SC1=O	ZINC000013553950	204535396	/nfs/dbraw/zinc/53/53/96/204535396.db2.gz	QGARMLQCHSHKGT-QHCPKHFHSA-N	0	1	366.526	6.058	1	30		FKEFMN
C#CCN(Cc1cn(Cc2ccccc2)c2ccccc12)Cc1ccccc1	ZINC000013807961	210143349	/nfs/dbraw/zinc/14/33/49/210143349.db2.gz	KEFBOBCOJZZLTJ-UHFFFAOYSA-N	0	1	364.492	5.325	1	30		FKEFMN
CC(C)(C)c1cc(/C=C/C(=O)c2ccccc2O)cc(C(C)(C)C)c1O	ZINC000026644901	211452669	/nfs/dbraw/zinc/45/26/69/211452669.db2.gz	JLNALIVQGQPVMF-VAWYXSNFSA-N	0	1	352.474	5.589	1	30		FKEFMN
C(#Cc1cc(-c2n[nH]c3c2Cc2ccccc2-3)cs1)COc1ccccc1	ZINC000028642613	210165937	/nfs/dbraw/zinc/16/59/37/210165937.db2.gz	BXBCZPPLGRTDAR-UHFFFAOYSA-N	0	1	368.461	5.140	1	30		FKEFMN
CCCC[C@]12Cc3c(ccc4[nH]nnc43)C1=C(c1cccs1)C(=O)CC2	ZINC000034633854	208104417	/nfs/dbraw/zinc/10/44/17/208104417.db2.gz	TZACYAAFEOUQNL-NRFANRHFSA-N	0	1	363.486	5.026	1	30		FKEFMN
[N-]=[N+]=Nc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1	ZINC000038143313	208198932	/nfs/dbraw/zinc/19/89/32/208198932.db2.gz	KOJHTPKNBTZVAY-UHFFFAOYSA-N	0	1	356.364	5.887	1	30		FKEFMN
CC(=O)C1=C(C)Nc2cc(Cl)ccc2SC1c1ccccc1[N+](=O)[O-]	ZINC000042989510	205100128	/nfs/dbraw/zinc/10/01/28/205100128.db2.gz	UCAKROOQNFWEPW-SFHVURJKSA-N	0	1	374.849	5.370	1	30		FKEFMN
CC(=O)C1=C(C)Nc2cc(Cl)ccc2SC1c1ccccc1[N+](=O)[O-]	ZINC000042989512	205100007	/nfs/dbraw/zinc/10/00/07/205100007.db2.gz	UCAKROOQNFWEPW-GOSISDBHSA-N	0	1	374.849	5.370	1	30		FKEFMN
c1ccc(CON=C2C[C@H](c3ccccc3)N[C@H](c3ccccc3)C2)cc1	ZINC000043012059	205099834	/nfs/dbraw/zinc/09/98/34/205099834.db2.gz	QKSDKDVJNVRIHB-PSWAGMNNSA-N	0	1	356.469	5.425	1	30		FKEFMN
c1ccc(CON=C2C[C@@H](c3ccccc3)N[C@H](c3ccccc3)C2)cc1	ZINC000043012062	208301171	/nfs/dbraw/zinc/30/11/71/208301171.db2.gz	QKSDKDVJNVRIHB-ZEQRLZLVSA-N	0	1	356.469	5.425	1	30		FKEFMN
c1ccc(CON=C2C[C@H](c3ccccc3)N[C@@H](c3ccccc3)C2)cc1	ZINC000043012065	208299807	/nfs/dbraw/zinc/29/98/07/208299807.db2.gz	QKSDKDVJNVRIHB-DNQXCXABSA-N	0	1	356.469	5.425	1	30		FKEFMN
CCC1=C(OC)C(=O)C(=CCCCCCCCCCC(C)=O)C(C)C1=O	ZINC000043067859	208300126	/nfs/dbraw/zinc/30/01/26/208300126.db2.gz	YLBJAESVCGODNW-UHFFFAOYSA-N	0	1	362.510	5.255	1	30		FKEFMN
CCCCCCCCCOc1ccc(/C=C/C(=O)c2ccccc2O)cc1	ZINC000044093591	205107394	/nfs/dbraw/zinc/10/73/94/205107394.db2.gz	CFPRBGDXYCRNBJ-OBGWFSINSA-N	0	1	366.501	6.418	1	30		FKEFMN
N#Cc1cccc(Cl)c1-c1nc2c([nH]1)c1c(c3ccccc23)CCC=C1	ZINC000045257391	208328650	/nfs/dbraw/zinc/32/86/50/208328650.db2.gz	NXKYODFJUKWIBO-UHFFFAOYSA-N	0	1	355.828	5.868	1	30		FKEFMN
CC(=NNc1ccccc1)c1c(O)ccc2c(-c3ccccc3)cc(=O)oc21	ZINC000045300265	205118657	/nfs/dbraw/zinc/11/86/57/205118657.db2.gz	STJDWFZOLPWMOG-BUVRLJJBSA-N	0	1	370.408	5.002	1	30		FKEFMN
CON=C1[C@@H]2CC(C)C[C@H]1[C@@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1	ZINC000049033789	205167246	/nfs/dbraw/zinc/16/72/46/205167246.db2.gz	SMZOFVGUOFNQSQ-LMFASAPVSA-N	0	1	370.443	5.015	1	30		FKEFMN
CON=C1[C@@H]2CC(C)C[C@H]1[C@@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1	ZINC000049033847	205166956	/nfs/dbraw/zinc/16/69/56/205166956.db2.gz	IDVQFEASHNUUHC-LMFASAPVSA-N	0	1	370.443	5.015	1	30		FKEFMN
CC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)[nH]c(=O)c2C#N)cc1	ZINC000049124559	205169974	/nfs/dbraw/zinc/16/99/74/205169974.db2.gz	ILFFOLYUJUJOTM-UHFFFAOYSA-N	0	1	368.480	5.583	1	30		FKEFMN
N#Cc1c[nH]c(C(=O)Nc2ccc(-c3ccccc3)cc2C2=CCCCC2)n1	ZINC000053313303	205192726	/nfs/dbraw/zinc/19/27/26/205192726.db2.gz	AWFIHKUWCIHUJW-UHFFFAOYSA-N	0	1	368.440	5.158	1	30		FKEFMN
C=C(CC[C@H]1[C@@H](C)CCCC1(C)C)C(=O)Cc1c(O)cc(C)c(C=O)c1O	ZINC000066079452	221240359	/nfs/dbraw/zinc/24/03/59/221240359.db2.gz	ZDEDZFRJQXNDJU-LIRRHRJNSA-N	0	1	372.505	5.129	1	30		FKEFMN
CCOc1cc(F)ccc1/C=C/C(=O)c1ccc2c(c1O)C=CC(C)(C)O2	ZINC000095587402	209083524	/nfs/dbraw/zinc/08/35/24/209083524.db2.gz	SDLPGFJMUFBMIF-RMKNXTFCSA-N	0	1	368.404	5.010	1	30		FKEFMN
CC1(C)CC(=O)C2=C(C1)N=C(c1ccccc1)C[C@@H]2c1ccc(Cl)cc1	ZINC000101351159	222271911	/nfs/dbraw/zinc/27/19/11/222271911.db2.gz	WFVNAYORKPDMLJ-GOSISDBHSA-N	0	1	363.888	5.711	1	30		FKEFMN
COc1ccc([C@H]2CC(c3ccccc3)=NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000101351170	222271630	/nfs/dbraw/zinc/27/16/30/222271630.db2.gz	WRPCQVYBANBKNV-LJQANCHMSA-N	0	1	359.469	5.066	1	30		FKEFMN
COc1ccc(C2=NC3=C(C(=O)CC(C)(C)C3)[C@H](c3ccccc3)C2)cc1	ZINC000102070950	222289266	/nfs/dbraw/zinc/28/92/66/222289266.db2.gz	PYOVRDODRUFLBQ-IBGZPJMESA-N	0	1	359.469	5.066	1	30		FKEFMN
CC(C)=CCOc1cc(OC=C(C)C)cc(O)c1C(=O)/C=C/c1ccco1	ZINC000103191084	209248033	/nfs/dbraw/zinc/24/80/33/209248033.db2.gz	GPLJMPCDJKJCMG-BQYQJAHWSA-N	0	1	368.429	5.529	1	30		FKEFMN
O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1O	ZINC000103222420	222326195	/nfs/dbraw/zinc/32/61/95/222326195.db2.gz	QRKBRADIFBLIMX-RMKNXTFCSA-N	0	1	359.208	5.855	1	30		FKEFMN
Cc1ccc(Oc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)cc1	ZINC000103293235	222332744	/nfs/dbraw/zinc/33/27/44/222332744.db2.gz	VUSSAGMBZSHTSB-HYARGMPZSA-N	0	1	359.454	5.843	1	30		FKEFMN
Cc1ccc(Oc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)cc1	ZINC000103293235	222332739	/nfs/dbraw/zinc/33/27/39/222332739.db2.gz	VUSSAGMBZSHTSB-HYARGMPZSA-N	0	1	359.454	5.843	1	30		FKEFMN
Fc1ccc(Oc2ccc(C=[NH+][N-]c3nc4ccccc4s3)cc2)cc1	ZINC000103293241	222332267	/nfs/dbraw/zinc/33/22/67/222332267.db2.gz	AVQYQCBJLXTQMY-LPYMAVHISA-N	0	1	363.417	5.674	1	30		FKEFMN
Fc1ccc(Oc2ccc(C=NN=c3[nH]c4ccccc4s3)cc2)cc1	ZINC000103293241	222332264	/nfs/dbraw/zinc/33/22/64/222332264.db2.gz	AVQYQCBJLXTQMY-LPYMAVHISA-N	0	1	363.417	5.674	1	30		FKEFMN
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(C#N)cc3)c2c1	ZINC000169306808	209516916	/nfs/dbraw/zinc/51/69/16/209516916.db2.gz	FWFCQLDVCXATKF-UHFFFAOYSA-N	0	1	359.816	5.665	1	30		FKEFMN
CO/N=C1\[C@H]2CCC[C@]1(C)[C@@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1	ZINC000169320359	206250418	/nfs/dbraw/zinc/25/04/18/206250418.db2.gz	VTOAEHWHEKFQCU-PXCIATODSA-N	0	1	370.443	5.159	1	30		FKEFMN
CC1=C(C(=O)SC(C)(C)C)[C@@H](c2ccccc2)CC(c2ccccc2)=N1	ZINC000169322827	206250517	/nfs/dbraw/zinc/25/05/17/206250517.db2.gz	COZFLQRHDQMCDS-LJQANCHMSA-N	0	1	363.526	5.747	1	30		FKEFMN
CO/N=C1\[C@@H]2CCC[C@@]1(C)[C@@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1	ZINC000169333006	206252296	/nfs/dbraw/zinc/25/22/96/206252296.db2.gz	LITALIXFZJINEA-NPTSLVBXSA-N	0	1	370.443	5.159	1	30		FKEFMN
C=CCOC(=O)C1=C(C)N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1	ZINC000169348105	210175269	/nfs/dbraw/zinc/17/52/69/210175269.db2.gz	FORZUEOUMKFCCC-LJQANCHMSA-N	0	1	365.860	5.071	1	30		FKEFMN
COC1=CC(=O)C([O-])=C(C[C@]2(C)[C@H](C)CC[C@@]3(C)[C@@H]2CCCC3(C)C)C1=O	ZINC000195488099	206332374	/nfs/dbraw/zinc/33/23/74/206332374.db2.gz	ZMWPUCGPHZVIMQ-XBRCYRKVSA-N	0	1	374.521	5.140	1	30		FKEFMN