smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C[C@@H](CO)O[C@H](C=O)c1c[nH]c(=O)[n-]c1=O	ZINC000001565823	182855060	/nfs/dbraw/zinc/85/50/60/182855060.db2.gz	PWWIIFIZPARHSJ-CAHLUQPWSA-N	-1	3	242.187	-2.120	40	30		BAEBHM
C[C@]1(C=NNC(N)=S)NC(=O)[N-]C1=O	ZINC000001595904	383909749	/nfs/dbraw/zinc/90/97/49/383909749.db2.gz	MZQXOPQVZRVHAD-ONJTYKPQSA-N	-1	3	215.238	-1.597	40	30		BAEBHM
C[C@@]1(C=NNC(N)=S)NC(=O)[N-]C1=O	ZINC000001595905	342705004	/nfs/dbraw/zinc/70/50/04/342705004.db2.gz	MZQXOPQVZRVHAD-YYHMDIAISA-N	-1	3	215.238	-1.597	40	30		BAEBHM
CC[C@]1(C=NNC(N)=S)NC(=O)[N-]C1=O	ZINC000001595912	346075307	/nfs/dbraw/zinc/07/53/07/346075307.db2.gz	NYXZPUDELGWAPW-WGJZWELTSA-N	-1	3	229.265	-1.002	40	30		BAEBHM
NC(=S)NN=Cc1c[nH]c(=O)[n-]c1=O	ZINC000001615549	181317162	/nfs/dbraw/zinc/31/71/62/181317162.db2.gz	SAJSMDMJVNZIJR-XNWCZRBMSA-N	-1	3	213.222	-1.770	40	30		BAEBHM
CC(=O)ONC([N-][N+](=O)[O-])NOC(C)=O	ZINC000001704491	383925644	/nfs/dbraw/zinc/92/56/44/383925644.db2.gz	ADCSBBDHYALYKK-UHFFFAOYSA-N	-1	3	222.157	-1.813	40	30		BAEBHM
NC(=S)NN=Cc1cc(=O)[n-]c(=O)[nH]1	ZINC000001868218	181317503	/nfs/dbraw/zinc/31/75/03/181317503.db2.gz	KGJUZJMIZNFPLS-KRXBUXKQSA-N	-1	3	213.222	-1.770	40	30		BAEBHM
O=C(N[O-])[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO	ZINC000005372848	182280150	/nfs/dbraw/zinc/28/01/50/182280150.db2.gz	RMRPUORFNOLLGJ-FCAWWPLPSA-N	-1	3	211.170	-4.072	40	30		BAEBHM
O=C(N[O-])[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO	ZINC000005372851	182278977	/nfs/dbraw/zinc/27/89/77/182278977.db2.gz	RMRPUORFNOLLGJ-STGXQOJASA-N	-1	3	211.170	-4.072	40	30		BAEBHM
O=C(N[O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO	ZINC000005372852	182279880	/nfs/dbraw/zinc/27/98/80/182279880.db2.gz	RMRPUORFNOLLGJ-QTBDOELSSA-N	-1	3	211.170	-4.072	40	30		BAEBHM
O=C(N[O-])[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000005372854	182279563	/nfs/dbraw/zinc/27/95/63/182279563.db2.gz	RMRPUORFNOLLGJ-MBMOQRBOSA-N	-1	3	211.170	-4.072	40	30		BAEBHM
CC[C@@]1(C=NNC(N)=S)NC(=O)[N-]C1=O	ZINC000005599182	171194899	/nfs/dbraw/zinc/19/48/99/171194899.db2.gz	NYXZPUDELGWAPW-FHYFFISESA-N	-1	3	229.265	-1.206	40	30		BAEBHM
O=C[C@H](CO)O[C@H](C=O)c1c[nH]c(=O)[n-]c1=O	ZINC000006090993	527143239	/nfs/dbraw/zinc/14/32/39/527143239.db2.gz	PWWIIFIZPARHSJ-IYSWYEEDSA-N	-1	3	242.187	-2.120	40	30		BAEBHM
O=C[C@@H](CO)O[C@@H](C=O)c1c[nH]c(=O)[n-]c1=O	ZINC000006494994	384156236	/nfs/dbraw/zinc/15/62/36/384156236.db2.gz	PWWIIFIZPARHSJ-FSPLSTOPSA-N	-1	3	242.187	-2.120	40	30		BAEBHM
O=C1N[C@@H]2N=NC([N-][N+](=O)[O-])N[C@@H]2N1	ZINC000016137409	387659067	/nfs/dbraw/zinc/65/90/67/387659067.db2.gz	OWYMZGBBWJOAEU-JCYAYHJZSA-N	-1	3	201.146	-2.804	40	30		BAEBHM
O=C1N[C@H]2NC([N-][N+](=O)[O-])N=N[C@@H]2N1	ZINC000016137411	387659948	/nfs/dbraw/zinc/65/99/48/387659948.db2.gz	OWYMZGBBWJOAEU-NCGGTJAESA-N	-1	3	201.146	-2.804	40	30		BAEBHM
O=C1N[C@H]2N=NC([N-][N+](=O)[O-])N[C@H]2N1	ZINC000016137415	387659386	/nfs/dbraw/zinc/65/93/86/387659386.db2.gz	OWYMZGBBWJOAEU-LWMBPPNESA-N	-1	3	201.146	-2.804	40	30		BAEBHM
O=C[C@H](O[C@H](C=O)CO)c1c[nH]c(=O)[n-]c1=O	ZINC000017106544	384480198	/nfs/dbraw/zinc/48/01/98/384480198.db2.gz	PWWIIFIZPARHSJ-VDTYLAMSSA-N	-1	3	242.187	-2.120	40	30		BAEBHM
C[C@@]1(C=NNC(N)=S)NC(=O)[N-]C1=O	ZINC000017284478	342923001	/nfs/dbraw/zinc/92/30/01/342923001.db2.gz	MZQXOPQVZRVHAD-UGMXDQQYSA-N	-1	3	215.238	-1.597	40	30		BAEBHM
C[C@]1(C=NNC(N)=S)NC(=O)[N-]C1=O	ZINC000017284481	384486193	/nfs/dbraw/zinc/48/61/93/384486193.db2.gz	MZQXOPQVZRVHAD-WNGQPZJSSA-N	-1	3	215.238	-1.597	40	30		BAEBHM
CC[C@@]1(C=NNC(N)=S)NC(=O)[N-]C1=O	ZINC000017284490	171194855	/nfs/dbraw/zinc/19/48/55/171194855.db2.gz	NYXZPUDELGWAPW-MEVQIBDESA-N	-1	3	229.265	-1.002	40	30		BAEBHM
CC[C@]1(C=NNC(N)=S)NC(=O)[N-]C1=O	ZINC000017284493	342922960	/nfs/dbraw/zinc/92/29/60/342922960.db2.gz	NYXZPUDELGWAPW-LVWLXAFTSA-N	-1	3	229.265	-1.002	40	30		BAEBHM
CC(=NNC(N)=S)c1c[nH]c(=O)[n-]c1=O	ZINC000017381194	409667730	/nfs/dbraw/zinc/66/77/30/409667730.db2.gz	HNXKKKMGPWOBHI-JYOAFUTRSA-N	-1	3	227.249	-1.380	40	30		BAEBHM
NC(=S)NN=Cc1cc(=O)[n-]c(=O)[nH]1	ZINC000017419681	181318277	/nfs/dbraw/zinc/31/82/77/181318277.db2.gz	KGJUZJMIZNFPLS-WAPJZHGLSA-N	-1	3	213.222	-1.770	40	30		BAEBHM
NC(=S)NN=Cc1c[nH]c(=O)[n-]c1=O	ZINC000035974093	181318672	/nfs/dbraw/zinc/31/86/72/181318672.db2.gz	SAJSMDMJVNZIJR-MBXJOHMKSA-N	-1	3	213.222	-1.770	40	30		BAEBHM
CC(=NNC(N)=S)c1c[nH]c(=O)[n-]c1=O	ZINC000056635548	188301417	/nfs/dbraw/zinc/30/14/17/188301417.db2.gz	HNXKKKMGPWOBHI-QDEBKDIKSA-N	-1	3	227.249	-1.380	40	30		BAEBHM