smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2cccs2)[nH]n1	ZINC000217589972	241260858	/nfs/dbraw/zinc/26/08/58/241260858.db2.gz	VAVCDPVVWKPDFU-FOSCPWQOSA-N	0	1	333.482	3.637	50	70		EHIAMN
C[N@@H+]([C@@H](c1ccsc1)c1sc2ncnn2c1[O-])C1CCCCC1	ZINC000218503503	241326091	/nfs/dbraw/zinc/32/60/91/241326091.db2.gz	PYXWYWJFBNEJIS-ZDUSSCGKSA-N	0	1	348.497	3.912	50	70		EHIAMN
Cc1cc(C[C@@H](C)NC(=O)Nc2ccccc2-c2ccncc2)n[nH]1	ZINC000160257920	564072886	/nfs/dbraw/zinc/07/28/86/564072886.db2.gz	YUWNELMMMSXLPJ-CYBMUJFWSA-N	0	1	335.411	3.533	50	70		EHIAMN
O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCC[C@@H]1c1ccccn1	ZINC000216957879	241227002	/nfs/dbraw/zinc/22/70/02/241227002.db2.gz	JGIHMJZRQULXFX-QGZVFWFLSA-N	0	1	338.436	3.901	50	70		EHIAMN
CSC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2ccc(F)cc2)[nH]n1	ZINC000217704972	564158260	/nfs/dbraw/zinc/15/82/60/564158260.db2.gz	MRNRVSGLLQQWOK-YIONKMFJSA-N	0	1	345.443	3.714	50	70		EHIAMN
Cc1ccc(CN(C)C(=O)CN2CC[C@H](c3ccccc3)C2)s1	ZINC000218709851	241340516	/nfs/dbraw/zinc/34/05/16/241340516.db2.gz	SMVWQRONDXVTLE-KRWDZBQOSA-N	0	1	328.481	3.504	50	70		EHIAMN
Cc1cc(C[C@@H](C)NC(=O)C2(c3ccccc3)CCCCC2)n[nH]1	ZINC000218703902	241338331	/nfs/dbraw/zinc/33/83/31/241338331.db2.gz	PSRUCFIRGJCTLW-OAHLLOKOSA-N	0	1	325.456	3.667	50	70		EHIAMN
O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCC[C@H]1c1cccnc1	ZINC000218125771	241300539	/nfs/dbraw/zinc/30/05/39/241300539.db2.gz	SJUGUQWBEFVIAZ-KRWDZBQOSA-N	0	1	338.436	3.901	50	70	biogenic	EHIAMN
Cc1ccc(CN(C)C(=O)CN2CC[C@@H](c3ccccc3)C2)s1	ZINC000218709779	241340480	/nfs/dbraw/zinc/34/04/80/241340480.db2.gz	SMVWQRONDXVTLE-QGZVFWFLSA-N	0	1	328.481	3.504	50	70		EHIAMN
Cc1cc(C[C@H](C)NC(=O)Nc2ccccc2OC(C)(C)C)n[nH]1	ZINC000160403743	564079376	/nfs/dbraw/zinc/07/93/76/564079376.db2.gz	QBUPXOYNTIXSHO-LBPRGKRZSA-N	0	1	330.432	3.648	50	70		EHIAMN
CCCCc1nnc(NC(=O)c2ncc(-c3ccc(F)cc3)o2)s1	ZINC000217432695	241250353	/nfs/dbraw/zinc/25/03/53/241250353.db2.gz	BOKWSRPFRXTTLX-UHFFFAOYSA-N	0	1	346.387	3.927	50	70		EHIAMN
Cc1cc(C[C@H](C)NC(=O)Nc2ccccc2-c2ccncc2)n[nH]1	ZINC000160258031	564072852	/nfs/dbraw/zinc/07/28/52/564072852.db2.gz	YUWNELMMMSXLPJ-ZDUSSCGKSA-N	0	1	335.411	3.533	50	70		EHIAMN
O=C(c1cc(-c2ccsc2)[nH]n1)N1CCCC[C@H]1c1ccccn1	ZINC000216957897	241228026	/nfs/dbraw/zinc/22/80/26/241228026.db2.gz	JGIHMJZRQULXFX-KRWDZBQOSA-N	0	1	338.436	3.901	50	70		EHIAMN
Cc1cn[nH]c1C1CCN(C(=O)c2csc3c2CCCC3)CC1	ZINC000217833254	241276351	/nfs/dbraw/zinc/27/63/51/241276351.db2.gz	PRRAZLDPYNZNCB-UHFFFAOYSA-N	0	1	329.469	3.678	50	70		EHIAMN
C[N@@H+]([C@H](c1ccsc1)c1sc2ncnn2c1[O-])C1CCCCC1	ZINC000218503410	241326846	/nfs/dbraw/zinc/32/68/46/241326846.db2.gz	PYXWYWJFBNEJIS-CYBMUJFWSA-N	0	1	348.497	3.912	50	70		EHIAMN
Cc1nc2ccc(CNC(=O)Cc3ccccc3C(F)(F)F)cc2[nH]1	ZINC000218581526	241332131	/nfs/dbraw/zinc/33/21/31/241332131.db2.gz	PJCGRRFKIRNSAV-UHFFFAOYSA-N	0	1	347.340	3.749	50	70		EHIAMN
Cc1cc(C[C@@H](C)NC(=O)Nc2ccccc2OC(C)(C)C)n[nH]1	ZINC000160403609	225407667	/nfs/dbraw/zinc/40/76/67/225407667.db2.gz	QBUPXOYNTIXSHO-GFCCVEGCSA-N	0	1	330.432	3.648	50	70		EHIAMN
CCN(CC)Cc1cc(C(=O)N(C)[C@@H](C)c2c(C)n[nH]c2C)c(C)o1	ZINC000217195376	535599891	/nfs/dbraw/zinc/59/98/91/535599891.db2.gz	LQYCAPKHCYSIJQ-AWEZNQCLSA-N	0	1	346.475	3.603	50	70		EHIAMN
CCN(CC)Cc1cc(C(=O)N(C)[C@H](C)c2c(C)n[nH]c2C)c(C)o1	ZINC000217195384	535599627	/nfs/dbraw/zinc/59/96/27/535599627.db2.gz	LQYCAPKHCYSIJQ-CQSZACIVSA-N	0	1	346.475	3.603	50	70		EHIAMN
Cc1cc(C[C@H](C)NC(=O)C2(c3ccccc3)CCCCC2)n[nH]1	ZINC000218703974	241339850	/nfs/dbraw/zinc/33/98/50/241339850.db2.gz	PSRUCFIRGJCTLW-HNNXBMFYSA-N	0	1	325.456	3.667	50	70		EHIAMN