smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(NN=Cc3ccccc3Cl)cc[nH+]c2c1	ZINC000064608400	184301507	/nfs/dbraw/zinc/30/15/07/184301507.db2.gz	YNVWMRQRXMPJCS-JAIQZWGSSA-N	1	1	311.772	4.343	1	30		DIEFMO
C=C1CC[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@H+]3CC2CC2)C1	ZINC000145510598	186037327	/nfs/dbraw/zinc/03/73/27/186037327.db2.gz	VVCJPKYUROBSPS-TYPHKJRUSA-N	1	1	309.453	4.027	1	30		DIEFMO
C#CC(CC)(CC)[NH2+]Cc1coc(-c2cccc(OCC)c2)n1	ZINC000072184556	191072086	/nfs/dbraw/zinc/07/20/86/191072086.db2.gz	SWLULQNQCBEKKI-UHFFFAOYSA-N	1	1	312.413	4.022	1	30		DIEFMO
CCCCCCCCCCCCCCCC[NH2+]C[C@H](O)CN	ZINC000073329708	191305120	/nfs/dbraw/zinc/30/51/20/191305120.db2.gz	GNSGPFUUHJVGPK-LJQANCHMSA-N	1	1	314.558	4.377	1	30		DIEFMO
C[N@@H+]1[C@@H]2CC[C@H]1/C(=C\c1ccccc1)C(=O)/C2=C/c1ccccc1	ZINC000040915348	183148147	/nfs/dbraw/zinc/14/81/47/183148147.db2.gz	UYTWVEVNIDBOOP-OCFWWASYSA-N	1	1	315.416	4.199	1	30		DIEFMO
C[N@H+]1[C@@H]2CC[C@H]1/C(=C\c1ccccc1)C(=O)/C2=C/c1ccccc1	ZINC000040915348	183148149	/nfs/dbraw/zinc/14/81/49/183148149.db2.gz	UYTWVEVNIDBOOP-OCFWWASYSA-N	1	1	315.416	4.199	1	30		DIEFMO
Cc1cc(NN=Cc2ccc(Cl)cc2)c2ccc(F)cc2[nH+]1	ZINC000064469056	184298206	/nfs/dbraw/zinc/29/82/06/184298206.db2.gz	IYQXPAVBBYCXSC-JMIUGGIZSA-N	1	1	313.763	4.204	1	30		DIEFMO
Cc1cc(NN=Cc2ccccc2Cl)c2cccc(C)c2[nH+]1	ZINC000064574022	184300510	/nfs/dbraw/zinc/30/05/10/184300510.db2.gz	AKDOSYMIHKZYLE-JAIQZWGSSA-N	1	1	309.800	4.373	1	30		DIEFMO
C=C1C[C@@H](C)[C@H]2C[N@H+](CC3CC3)CC[C@]2(c2cccc(O)c2)C1	ZINC000003801523	181046113	/nfs/dbraw/zinc/04/61/13/181046113.db2.gz	REMVDAVFSZHVLT-MAODMQOUSA-N	1	1	311.469	4.348	1	30		DIEFMO
C#CCOc1cccc2c1-c1cccc3c1[C@H](C2)[N@@H+](CCC)CC3	ZINC000066066652	184386234	/nfs/dbraw/zinc/38/62/34/184386234.db2.gz	GYGFWUNSKKZJNC-IBGZPJMESA-N	1	1	317.432	4.231	1	30	in-vitro	DIEFMO
C=C1CC[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@H+]3CC2CCC2)C1	ZINC000145288636	186037096	/nfs/dbraw/zinc/03/70/96/186037096.db2.gz	XEZKLCMKMVVJHI-NNWRFLSQSA-N	1	1	323.480	4.417	1	30		DIEFMO
CCOc1ccc2c(NN=Cc3ccc(OC)cc3)cc[nH+]c2c1	ZINC000043022228	183330150	/nfs/dbraw/zinc/33/01/50/183330150.db2.gz	OJUNWTQCALXNAD-FYJGNVAPSA-N	1	1	321.380	4.088	1	30		DIEFMO
C[N@@H+]1[C@@H]2CC[C@H]1CC(=NOC1c3ccccc3-c3ccccc31)C2	ZINC000049045435	183705120	/nfs/dbraw/zinc/70/51/20/183705120.db2.gz	KRXCAZPLEGVNIT-IYBDPMFKSA-N	1	1	318.420	4.386	1	30		DIEFMO
CCCCCCCCC/C=C1\CC[C@@H](C[NH+]2CCOCC2)C1=O	ZINC000073278713	191300410	/nfs/dbraw/zinc/30/04/10/191300410.db2.gz	DJBFJQYPTAWVDL-VBIXMBBUSA-N	1	1	321.505	4.365	1	30		DIEFMO
COc1ccc2c(NN=Cc3cccc(Cl)c3)cc[nH+]c2c1	ZINC000064608376	184301729	/nfs/dbraw/zinc/30/17/29/184301729.db2.gz	TXYNOZAKGCMYCR-JAIQZWGSSA-N	1	1	311.772	4.343	1	30		DIEFMO
Cc1cc(NN=Cc2ccccc2[N+](=O)[O-])c2cccc(C)c2[nH+]1	ZINC000038807217	183010165	/nfs/dbraw/zinc/01/01/65/183010165.db2.gz	OZBWVRHWVWEVBQ-YBFXNURJSA-N	1	1	320.352	4.206	1	30		DIEFMO
Cc1cc(NN=Cc2ccccc2Cl)c2ccc(F)cc2[nH+]1	ZINC000064245710	184293309	/nfs/dbraw/zinc/29/33/09/184293309.db2.gz	ZHSGLCRZQFCGFV-JMIUGGIZSA-N	1	1	313.763	4.204	1	30		DIEFMO
COc1ccc2c(NN=Cc3ccc(Cl)cc3)cc[nH+]c2c1	ZINC000064622094	184301692	/nfs/dbraw/zinc/30/16/92/184301692.db2.gz	SIPJZKWGPIOPNH-JAIQZWGSSA-N	1	1	311.772	4.343	1	30		DIEFMO
CCCCCCCCCCCCCCCC[NH2+]C[C@@H](O)CN	ZINC000073329711	191304412	/nfs/dbraw/zinc/30/44/12/191304412.db2.gz	GNSGPFUUHJVGPK-IBGZPJMESA-N	1	1	314.558	4.377	1	30		DIEFMO
N#Cc1ccc2[nH]c(Nc3ccc(Cl)c(Cl)c3)[nH+]c2c1	ZINC000040392420	183059917	/nfs/dbraw/zinc/05/99/17/183059917.db2.gz	FEFJWCOMSSPTNR-UHFFFAOYSA-N	1	1	303.152	4.485	1	30		DIEFMO
C=CC[N@H+](Cc1coc(-c2ccccc2F)n1)C1CCCC1	ZINC000072180889	191072537	/nfs/dbraw/zinc/07/25/37/191072537.db2.gz	UPSMPUCMIRAYLB-UHFFFAOYSA-N	1	1	300.377	4.411	1	30		DIEFMO
C#CC1([NH2+]Cc2coc(-c3ccccc3Cl)n2)CCCCC1	ZINC000072180185	191071978	/nfs/dbraw/zinc/07/19/78/191071978.db2.gz	AMENEPFXVNLVBL-UHFFFAOYSA-N	1	1	314.816	4.421	1	30		DIEFMO
CCCCCCCCC/C=C1\CC[C@H](C[NH+]2CCOCC2)C1=O	ZINC000073278707	191300291	/nfs/dbraw/zinc/30/02/91/191300291.db2.gz	DJBFJQYPTAWVDL-SZVPOVDMSA-N	1	1	321.505	4.365	1	30		DIEFMO
C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@H+]2CCCCCC#N	ZINC000027555133	182478024	/nfs/dbraw/zinc/47/80/24/182478024.db2.gz	FWTRUJOYDODEHD-YSSFQJQWSA-N	1	1	312.457	4.000	1	30		DIEFMO