smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)CN(CC)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1ccccc1Cl	ZINC000012247521	518599825	/nfs/dbraw/zinc/59/98/25/518599825.db2.gz	GQJHACRSQUVAHQ-UHFFFAOYSA-N	0	3	457.983	5.387	10	30		JKEEHN
CC(C)(O)C#Cc1ccc(CN2CCC(c3nc(-c4cccnc4)ncc3-c3ccccc3)CC2)cc1	ZINC000012167238	519330709	/nfs/dbraw/zinc/33/07/09/519330709.db2.gz	ZOYRRMLWFSSUCO-UHFFFAOYSA-N	0	3	488.635	5.708	10	30		JKEEHN
COC(=O)C(C)(C)c1ccc(C#CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000022008615	522802339	/nfs/dbraw/zinc/80/23/39/522802339.db2.gz	DKWKEPIGDFDPRT-UHFFFAOYSA-N	0	3	495.663	5.527	10	30		JKEEHN
C=CCOC(=O)Oc1cccc(/C(=C(\CC)c2ccccc2)c2ccc(OCCN(C)C)cc2)c1	ZINC000065734161	569676517	/nfs/dbraw/zinc/67/65/17/569676517.db2.gz	URCDUFVDCWHPCW-ZQHSETAFSA-N	0	3	471.597	6.698	10	30	in-vitro	JKEEHN
Fc1ccc(N2C(=S)C3(CCCCC3)[C@@H](N3CCCCC3)/C2=N\C23CC4CC(CC(C4)C2)C3)cc1	ZINC000103580524	569836398	/nfs/dbraw/zinc/83/63/98/569836398.db2.gz	DDHLLUXHRFIKMH-JOMOUVOVSA-N	0	3	493.736	7.145	10	30		JKEEHN
COc1ccc(C2=C(C(=O)c3ccc(OCCN4CCCC4)cc3)c3ccccc3CC2)cc1	ZINC000000608118	562918747	/nfs/dbraw/zinc/91/87/47/562918747.db2.gz	IHGLINDYFMDHJG-UHFFFAOYSA-N	0	3	453.582	5.910	10	30	in-man	JKEEHN
C=C[C@H]1CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C	ZINC000004097973	562932307	/nfs/dbraw/zinc/93/23/07/562932307.db2.gz	JICXOAIUPFUZPK-DXBSEXLMSA-N	0	3	450.630	5.990	10	30	in-vitro	JKEEHN
Cc1ccccc1[C@@](C#N)(CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(C)C	ZINC000038802226	569807896	/nfs/dbraw/zinc/80/78/96/569807896.db2.gz	VIYDOKCTHNBKSO-JGCGQSQUSA-N	0	3	465.685	6.600	10	30		JKEEHN
COc1cc2c(cc1OCc1ccccc1)C(=O)/C(=C\C1CCN(Cc3ccccc3)CC1)C2	ZINC000022050351	523053522	/nfs/dbraw/zinc/05/35/22/523053522.db2.gz	WFVLOAOZVBVDEA-QQXSKIMKSA-N	0	3	453.582	5.852	10	30		JKEEHN
COc1cc2c(cc1OCc1ccccc1)C/C(=C/C1CCN(Cc3ccccc3)CC1)C2=O	ZINC000022050341	523054517	/nfs/dbraw/zinc/05/45/17/523054517.db2.gz	DTOJSAUUVSMJBP-QQXSKIMKSA-N	0	3	453.582	5.852	10	30	in-vitro	JKEEHN
CCC(=O)n1c2ccccc2n(C2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)c1=O	ZINC000004215004	562932756	/nfs/dbraw/zinc/93/27/56/562932756.db2.gz	FLKWNFFCSSJANB-UHFFFAOYSA-N	0	3	492.623	5.390	10	30	in-man	JKEEHN
Cc1ccccc1[C@](C#N)(CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(C)C	ZINC000038802225	569807919	/nfs/dbraw/zinc/80/79/19/569807919.db2.gz	VIYDOKCTHNBKSO-YTTGMZPUSA-N	0	3	465.685	6.600	10	30		JKEEHN
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21	ZINC000004016544	194369953	/nfs/dbraw/zinc/36/99/53/194369953.db2.gz	NAQJXLPSNGAHHM-PRUVNFMMSA-N	0	3	462.977	5.691	10	30		JKEEHN
C=C(C)n1c2ccccc2n(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1=O	ZINC000033607410	518649391	/nfs/dbraw/zinc/64/93/91/518649391.db2.gz	ZWSPGJJMVIEYKJ-UHFFFAOYSA-N	0	3	466.629	5.091	10	30		JKEEHN
C=CCOc1ccccc1CN1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc(C(F)(F)F)cc2)C1	ZINC000011910325	519069550	/nfs/dbraw/zinc/06/95/50/519069550.db2.gz	SRYPDDUBTCJZBL-OFNKIYASSA-N	0	3	458.524	5.283	10	30		JKEEHN
Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)ccc1N(Cc1ccccc1)Cc1ccccc1	ZINC000022007836	526093498	/nfs/dbraw/zinc/09/34/98/526093498.db2.gz	QQOZOGAXTACGLB-KVQDIILNSA-N	0	3	481.643	8.374	10	30		JKEEHN
CCN(CC)c1ccc(/C=N\N(c2ccccc2)c2cccc3ccccc32)c(Br)c1	ZINC000095935103	535682033	/nfs/dbraw/zinc/68/20/33/535682033.db2.gz	BWQOPJOHNCAMOY-BRPDVVIDSA-N	0	3	472.430	7.621	10	30		JKEEHN
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1c(C)c(C#N)c2nc3ccccc3n2c1O	ZINC000016249432	520895250	/nfs/dbraw/zinc/89/52/50/520895250.db2.gz	ALZXWBKJJOMNHK-YBEGLDIGSA-N	0	3	476.323	5.486	10	30		JKEEHN
COc1ccc(/N=C2/S/C(=C\c3ccc(Cl)cc3)C(=O)N2C[C@@H](c2ccccc2)N(C)C)cc1	ZINC000015979944	523467045	/nfs/dbraw/zinc/46/70/45/523467045.db2.gz	DXICONBHDIVFPD-KQBYAATPSA-N	0	3	492.044	6.256	10	30		JKEEHN
Fc1ccc(N2C(=S)C3(CCCCC3)[C@H](N3CCCCC3)/C2=N\C23CC4CC(CC(C4)C2)C3)cc1	ZINC000033435878	526351971	/nfs/dbraw/zinc/35/19/71/526351971.db2.gz	DDHLLUXHRFIKMH-DHRCNAQLSA-N	0	3	493.736	7.145	10	30		JKEEHN
Cc1cc2c(cc1OCCN1CCCCC1)ncc(C#N)c2Nc1ccc2nc(N)sc2c1	ZINC000045484716	525611917	/nfs/dbraw/zinc/61/19/17/525611917.db2.gz	HGSBSXZGQZUQQU-UHFFFAOYSA-N	0	3	458.591	5.215	10	30		JKEEHN
CCOC(=O)c1occ2cc(N3CCN(CCCCc4c[nH]c5ccc(C#N)cc45)CC3)ccc21	ZINC000095496350	569725304	/nfs/dbraw/zinc/72/53/04/569725304.db2.gz	OJJLERQPJZJOJF-UHFFFAOYSA-N	0	3	470.573	5.107	10	30		JKEEHN
CCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc(O)cc1	ZINC000043706378	519990277	/nfs/dbraw/zinc/99/02/77/519990277.db2.gz	CLNWNLAQIZVCHW-XRKRLSELSA-N	0	3	474.730	6.488	10	30		JKEEHN
CN(C(=O)c1ccnc2ccccc21)C1CCC(CCN2CCc3cc(C#N)ccc3C2)CC1	ZINC000044136493	523954168	/nfs/dbraw/zinc/95/41/68/523954168.db2.gz	FNDGBSHQRNWYHO-UHFFFAOYSA-N	0	3	452.602	5.186	10	30	in-vitro	JKEEHN
CCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccccc1	ZINC000051943761	563204734	/nfs/dbraw/zinc/20/47/34/563204734.db2.gz	JWTWRSVTLZQQAI-XRKRLSELSA-N	0	3	458.731	6.782	10	30		JKEEHN