smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1cccc(C#CCCN2CCC(Cc3ccccc3)CC2)c1	ZINC000013798544	211640351	/nfs/dbraw/zinc/64/03/51/211640351.db2.gz	QZCFWXKDDJAIKH-UHFFFAOYSA-N	0	3	337.894	5.036	1	30		EKEFHN
Clc1ccccc1C#CCCN1CCC(Cc2ccccc2)CC1	ZINC000013798547	211640865	/nfs/dbraw/zinc/64/08/65/211640865.db2.gz	HFJVPSPTCZRVFK-UHFFFAOYSA-N	0	3	337.894	5.036	1	30		EKEFHN
CCCN=C1Nc2ccccc2[C@@H]2c3cccc(NC)c3[C@H](C)C[C@]12C	ZINC000026753191	202147729	/nfs/dbraw/zinc/14/77/29/202147729.db2.gz	LLNAYFLFNYWRLQ-AECOYVPUSA-N	0	3	347.506	5.608	1	30		EKEFHN
CO/N=C(\C)c1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000027524889	202156358	/nfs/dbraw/zinc/15/63/58/202156358.db2.gz	FTIWZTBPQOPKQI-MFKUBSTISA-N	0	3	341.414	5.502	1	30		EKEFHN
C=CC[C@@H](NCc1ccccc1)c1cn(C(=O)OCC)c2ccccc12	ZINC000028646644	212629831	/nfs/dbraw/zinc/62/98/31/212629831.db2.gz	CDDPWFZMNQIGMN-HXUWFJFHSA-N	0	3	348.446	5.053	1	30		EKEFHN
CCCCCCCCCCN1CCN(c2cccc3ccoc32)CC1	ZINC000036187763	534982811	/nfs/dbraw/zinc/98/28/11/534982811.db2.gz	NTQQOUFYDMGINO-UHFFFAOYSA-N	0	3	342.527	5.696	1	30		EKEFHN
N#Cc1ccc(CN(C2CCCC2)[C@@H]2CCC(=O)c3ccccc32)cc1	ZINC000040848100	213393559	/nfs/dbraw/zinc/39/35/59/213393559.db2.gz	DXGMYUVXVRTAQL-JOCHJYFZSA-N	0	3	344.458	5.021	1	30		EKEFHN
N#Cc1ccc(CN(C2CCCC2)[C@H]2CCC(=O)c3ccccc32)cc1	ZINC000040848101	213393435	/nfs/dbraw/zinc/39/34/35/213393435.db2.gz	DXGMYUVXVRTAQL-QFIPXVFZSA-N	0	3	344.458	5.021	1	30		EKEFHN
CC(=O)C1=C(C)Nc2ccccc2SC1c1ccccc1Cl	ZINC000043121006	213562344	/nfs/dbraw/zinc/56/23/44/213562344.db2.gz	GFEFGSVARJDBSJ-GOSISDBHSA-N	0	3	329.852	5.462	1	30		EKEFHN
CCCCCCCCCCn1c(N)ncc1-c1ccc(Cl)cc1	ZINC000066101804	215011473	/nfs/dbraw/zinc/01/14/73/215011473.db2.gz	SXRMVDFFZXHPII-UHFFFAOYSA-N	0	3	333.907	5.926	1	30		EKEFHN
CCCCCCCCCCCn1c(N)ncc1-c1ccc(Cl)cc1	ZINC000066103221	215011302	/nfs/dbraw/zinc/01/13/02/215011302.db2.gz	NSIJYQVKLFNWDA-UHFFFAOYSA-N	0	3	347.934	6.317	1	30		EKEFHN
CCCCCCCCCCCCCn1c(N)ncc1-c1ccccc1	ZINC000066112686	215014048	/nfs/dbraw/zinc/01/40/48/215014048.db2.gz	LJHSZXJNDUIHMH-UHFFFAOYSA-N	0	3	341.543	6.443	1	30		EKEFHN
CO/N=C1\C[C@@H](c2ccc(C)cc2)N(C)[C@@H](c2ccc(C)cc2)[C@@H]1C	ZINC000073167634	216359471	/nfs/dbraw/zinc/35/94/71/216359471.db2.gz	JTAGORSVXMCQEJ-DLFUPJSLSA-N	0	3	336.479	5.060	1	30		EKEFHN
CCCCCCCCCCCCC[C@H](O)C/C(=N\[O-])C(C)(C)[NH3+]	ZINC000084705282	217633595	/nfs/dbraw/zinc/63/35/95/217633595.db2.gz	GLTVOHQOQYGDKJ-SPGGGKMGSA-N	0	3	328.541	5.006	1	30		EKEFHN
CC1=C2C[C@]34CC[C@@H](C)[C@@]2(CC1)[C@]3(C)CC#CC[C@@H]1CCC[C@@]12CN2C4	ZINC000085548105	291015550	/nfs/dbraw/zinc/01/55/50/291015550.db2.gz	BATIFSICPGCAEE-DDMQQKJRSA-N	0	3	349.562	5.561	1	30	biogenic,in-vitro	EKEFHN
Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@@]3(C)CCC[C@@H]2/C3=N\O)cc1	ZINC000101984864	219179190	/nfs/dbraw/zinc/17/91/90/219179190.db2.gz	UYBYJZMKBIULCJ-GVGLZTOJSA-N	0	3	348.490	5.326	1	30		EKEFHN
Cc1ccc([C@@H]2N[C@@H](c3ccc(C)cc3)[C@@]3(C)CCC[C@@H]2/C3=N\O)cc1	ZINC000101984869	219178608	/nfs/dbraw/zinc/17/86/08/219178608.db2.gz	UYBYJZMKBIULCJ-FCGQXMRSSA-N	0	3	348.490	5.326	1	30		EKEFHN
Cc1ccccc1[C@H]1N[C@@H](c2ccccc2C)[C@@]2(C)CCC[C@@H]1/C2=N\O	ZINC000102236477	219191835	/nfs/dbraw/zinc/19/18/35/219191835.db2.gz	HVMTXICBPXWJMF-GVGLZTOJSA-N	0	3	348.490	5.326	1	30		EKEFHN
Cc1ccccc1[C@@H]1N[C@@H](c2ccccc2C)[C@@]2(C)CCC[C@@H]1/C2=N\O	ZINC000102236483	219192206	/nfs/dbraw/zinc/19/22/06/219192206.db2.gz	HVMTXICBPXWJMF-FCGQXMRSSA-N	0	3	348.490	5.326	1	30		EKEFHN