smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCn1c2ccc(C#N)cc2[nH+]c1Nc1ccc(F)cc1	ZINC000040845398	183141452	/nfs/dbraw/zinc/14/14/52/183141452.db2.gz	DZKHHMIANPJLSG-UHFFFAOYSA-N	1	2	308.360	4.591	1	30		DJEFLO
Clc1ccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)cc1	ZINC000064574028	184300640	/nfs/dbraw/zinc/30/06/40/184300640.db2.gz	HMKLLRAYBGDSIM-JMIUGGIZSA-N	1	2	316.191	4.988	1	30		DJEFLO
Cc1ccc(-c2nc(C[N@H+](CCC#N)C3CCCCC3)co2)cc1	ZINC000072183458	191071684	/nfs/dbraw/zinc/07/16/84/191071684.db2.gz	XXKFMNPMOZQDAG-UHFFFAOYSA-N	1	2	323.440	4.698	1	30		DJEFLO
Cc1ccc(-c2nc(C[N@@H+](CCC#N)C3CCCCC3)co2)cc1	ZINC000072183458	191071687	/nfs/dbraw/zinc/07/16/87/191071687.db2.gz	XXKFMNPMOZQDAG-UHFFFAOYSA-N	1	2	323.440	4.698	1	30		DJEFLO
C=CC[NH+](CC=C)Cc1coc(-c2ccc(Cl)cc2Cl)n1	ZINC000072180517	191071783	/nfs/dbraw/zinc/07/17/83/191071783.db2.gz	VCRPPHPNUSDOEC-UHFFFAOYSA-N	1	2	323.223	4.822	1	30		DJEFLO
Clc1cccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)c1	ZINC000006335359	181331187	/nfs/dbraw/zinc/33/11/87/181331187.db2.gz	XRKYRJFKHDBTQG-KEBDBYFISA-N	1	2	316.191	4.988	1	30		DJEFLO
Cc1ccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)c(C)c1	ZINC000005660150	181268751	/nfs/dbraw/zinc/26/87/51/181268751.db2.gz	RBKKKJWFRWVLQY-SRZZPIQSSA-N	1	2	309.800	4.951	3	30		DJEFLO
Cn1c[nH+]cc1C#Cc1c2ccccc2sc1-c1ccsc1	ZINC000061948093	184197922	/nfs/dbraw/zinc/19/79/22/184197922.db2.gz	BTOPPOSOJXWFAJ-UHFFFAOYSA-N	1	2	320.442	4.763	3	30		DJEFLO
C=CC[N@H+]1[C@@H](c2ccccc2)[C@H](C)C(=O)C[C@H]1c1ccccc1	ZINC000095572625	185380624	/nfs/dbraw/zinc/38/06/24/185380624.db2.gz	BNKSNISYSWZBJC-LKUPVBHCSA-N	1	2	305.421	4.566	1	30		DJEFLO
C=CC[N@@H+]1[C@@H](c2ccccc2)[C@H](C)C(=O)C[C@H]1c1ccccc1	ZINC000095572625	185380625	/nfs/dbraw/zinc/38/06/25/185380625.db2.gz	BNKSNISYSWZBJC-LKUPVBHCSA-N	1	2	305.421	4.566	1	30		DJEFLO
Cc1ccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)s1	ZINC000004868823	181166282	/nfs/dbraw/zinc/16/62/82/181166282.db2.gz	LAXVCPSNZRIZKI-GIJQJNRQSA-N	1	2	301.802	4.704	1	30		DJEFLO
Clc1cccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)c1	ZINC000064622091	184301781	/nfs/dbraw/zinc/30/17/81/184301781.db2.gz	XRKYRJFKHDBTQG-JMIUGGIZSA-N	1	2	316.191	4.988	1	30		DJEFLO
O=C(/C=C/c1ccc2ccccc2c1)c1ccc(-n2cc[nH+]c2)cc1	ZINC000082156607	192363049	/nfs/dbraw/zinc/36/30/49/192363049.db2.gz	UIEJGKRNHMXGOM-WUXMJOGZSA-N	1	2	324.383	4.922	1	30		DJEFLO
Cc1ccc2[nH+]c(-c3ccc(C#N)cc3)c(Cc3ccccc3)n2c1	ZINC000095599307	185382383	/nfs/dbraw/zinc/38/23/83/185382383.db2.gz	SGFUPXJVFRZZCS-UHFFFAOYSA-N	1	2	323.399	4.772	3	30		DJEFLO