smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)Cc1[nH]c2ccc(NC(=O)CCN3C(=O)CC4(CCCC4)C3=O)cc2[nH+]1	ZINC000218503939	570335885	/nfs/dbraw/zinc/33/58/85/570335885.db2.gz	KPRFGNNOIWGLSH-UHFFFAOYSA-N	1	2	396.491	3.409	50	70		GGIALO
COCCn1c(C)cc(C)c(C(=O)Nc2ccc3[nH]c(C(C)C)[nH+]c3c2)c1=O	ZINC000218540545	570336446	/nfs/dbraw/zinc/33/64/46/570336446.db2.gz	AEXAQBJICMSWSD-UHFFFAOYSA-N	1	2	382.464	3.364	50	70		GGIALO
CC1CC[NH+](Cc2ccc(C(=O)NCc3nnc(-c4ccccc4)[nH]3)o2)CC1	ZINC000217805117	570321723	/nfs/dbraw/zinc/32/17/23/570321723.db2.gz	SGYRDLICTNJGGN-UHFFFAOYSA-N	1	2	379.464	3.227	50	70		GGIALO
CC1CC[NH+](Cc2ccc(C(=O)NCc3n[nH]c(-c4ccccc4)n3)o2)CC1	ZINC000217805117	570321725	/nfs/dbraw/zinc/32/17/25/570321725.db2.gz	SGYRDLICTNJGGN-UHFFFAOYSA-N	1	2	379.464	3.227	50	70		GGIALO
CC1CC[NH+](Cc2ccc(C(=O)NCc3nc(-c4ccccc4)n[nH]3)o2)CC1	ZINC000217805117	570321728	/nfs/dbraw/zinc/32/17/28/570321728.db2.gz	SGYRDLICTNJGGN-UHFFFAOYSA-N	1	2	379.464	3.227	50	70		GGIALO
Cc1cc(C)cc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccccc4)[C@H]3C2=O)c1	ZINC000217472791	209185463	/nfs/dbraw/zinc/18/54/63/209185463.db2.gz	RXFYHRRDRDQGTJ-ANULTFPQSA-N	1	2	388.467	3.139	50	70		GGIALO
Cc1cc(C)cc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccccc4)[C@H]3C2=O)c1	ZINC000217472791	209185469	/nfs/dbraw/zinc/18/54/69/209185469.db2.gz	RXFYHRRDRDQGTJ-ANULTFPQSA-N	1	2	388.467	3.139	50	70		GGIALO
COC(=O)C[C@H](c1ccc[nH+]c1N1CCCCC1)c1cc2c(cc1O)OCO2	ZINC000217758312	136203430	/nfs/dbraw/zinc/20/34/30/136203430.db2.gz	RDUPCVKGFBIPSN-OAHLLOKOSA-N	1	2	384.432	3.201	50	70	biogenic	GGIALO
COC(=O)C[C@@H](c1ccc[nH+]c1N1CCCCC1)c1cc2c(cc1O)OCO2	ZINC000217758408	536313263	/nfs/dbraw/zinc/31/32/63/536313263.db2.gz	RDUPCVKGFBIPSN-HNNXBMFYSA-N	1	2	384.432	3.201	50	70	biogenic	GGIALO
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1	ZINC000218283834	570329835	/nfs/dbraw/zinc/32/98/35/570329835.db2.gz	GZABSMJERSLQIM-KRWDZBQOSA-N	1	2	393.399	3.334	50	70		GGIALO
CCc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccccc4)[C@H]3C2=O)cc1	ZINC000217574414	570370290	/nfs/dbraw/zinc/37/02/90/570370290.db2.gz	BRHTWTJGFOAPDG-ANULTFPQSA-N	1	2	388.467	3.084	50	70		GGIALO
CCc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccccc4)[C@H]3C2=O)cc1	ZINC000217574414	570370291	/nfs/dbraw/zinc/37/02/91/570370291.db2.gz	BRHTWTJGFOAPDG-ANULTFPQSA-N	1	2	388.467	3.084	50	70		GGIALO
Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccccc4)[C@H]3C2=O)cc1C	ZINC000217478529	222580416	/nfs/dbraw/zinc/58/04/16/222580416.db2.gz	ZHQNWZMABXGLTE-IVAOSVALSA-N	1	2	388.467	3.139	50	70		GGIALO
Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@H](C(=O)c4ccccc4)[C@H]3C2=O)cc1C	ZINC000217478529	222580418	/nfs/dbraw/zinc/58/04/18/222580418.db2.gz	ZHQNWZMABXGLTE-IVAOSVALSA-N	1	2	388.467	3.139	50	70		GGIALO
O=C(CCCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cccc2[nH]ccc21	ZINC000218485843	136203672	/nfs/dbraw/zinc/20/36/72/136203672.db2.gz	VOWZSANSBCVVME-UHFFFAOYSA-N	1	2	391.475	3.021	50	70		GGIALO
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1	ZINC000218283781	222586960	/nfs/dbraw/zinc/58/69/60/222586960.db2.gz	GZABSMJERSLQIM-QGZVFWFLSA-N	1	2	393.399	3.334	50	70		GGIALO