smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(CN(Cc2ccccc2)C[C@H](O)c2ccc(Cl)cc2)cc1	ZINC000095935039	211284620	/nfs/dbraw/zinc/28/46/20/211284620.db2.gz	XXXMXQTVJZBBAG-DEOSSOPVSA-N	0	3	394.946	5.142	40	10		GKCBHN
CN1CCCc2cc(CN3CCC[C@H]3c3ccc(Cc4ccccc4)cn3)ccc21	ZINC000257312066	209075202	/nfs/dbraw/zinc/07/52/02/209075202.db2.gz	UMIZDHCSJCFKIK-MHZLTWQESA-N	0	3	397.566	5.392	40	10		GKCBHN
CCCCCCc1cc(C[NH+](C2CCCCC2)C2CCCCC2)c([O-])cc1O	ZINC000004991090	570422024	/nfs/dbraw/zinc/42/20/24/570422024.db2.gz	APMAGTVQOJGFSO-UHFFFAOYSA-N	0	3	387.608	6.688	40	10		GKCBHN
Cc1ccc2c(nc3ccccc3c2Nc2ccc(NS(C)(=O)=O)cc2)c1C	ZINC000005008948	570423491	/nfs/dbraw/zinc/42/34/91/570423491.db2.gz	YDSSZAODJAZZOD-UHFFFAOYSA-N	0	3	391.496	5.120	40	10		GKCBHN
CCN(CC)CCOC(=O)c1ccc(NN=C2C=C(C)C(=O)C=C2C(C)C)cc1	ZINC000004769354	204073951	/nfs/dbraw/zinc/07/39/51/204073951.db2.gz	MHQZEQWTDWMWTJ-OCOZRVBESA-N	0	3	397.519	5.738	40	10		GKCBHN
CCN(CC)CC1=c2ccccc2=CC(=NNc2cccc3ccccc32)C1=O	ZINC000104200020	570299142	/nfs/dbraw/zinc/29/91/42/570299142.db2.gz	ZIEAKLAIBVZNDU-RQZHXJHFSA-N	0	3	383.495	6.956	40	10		GKCBHN
CCN(CC)CCOC(=O)c1ccc(NN=C2C=C(Cl)C(C)=CC2=O)cc1	ZINC000004769361	570404599	/nfs/dbraw/zinc/40/45/99/570404599.db2.gz	FTCZUKCXGMVRIF-GHVJWSGMSA-N	0	3	389.883	5.268	40	10		GKCBHN
CCN(CC)CCOC(=O)c1ccc(NN=C2C=CC(=O)c3ccccc32)cc1	ZINC000004769349	570404716	/nfs/dbraw/zinc/40/47/16/570404716.db2.gz	URYRCAKCGLDEBK-OCOZRVBESA-N	0	3	391.471	5.459	40	10		GKCBHN
CCOc1ccc(CNC2(c3ccccc3F)CCCC2)cc1Cn1ccnc1	ZINC000019533677	570999891	/nfs/dbraw/zinc/99/98/91/570999891.db2.gz	BQSZLSYXOLZXDQ-UHFFFAOYSA-N	0	3	393.506	5.028	40	10		GKCBHN
CCN(CC)CCOC(=O)c1ccc(NN=C2C=C(C)C(=O)C=C2C(C)C)cc1	ZINC000104345692	570301574	/nfs/dbraw/zinc/30/15/74/570301574.db2.gz	MHQZEQWTDWMWTJ-IZHYLOQSSA-N	0	3	397.519	5.738	40	10		GKCBHN
CCN(CC)CC1=CC(=NNc2cccc3ccccc32)c2ccccc2C1=O	ZINC000005572996	570446865	/nfs/dbraw/zinc/44/68/65/570446865.db2.gz	IHCYJXMELQMPTG-CYYJNZCTSA-N	0	3	383.495	6.956	40	10		GKCBHN
CCC[NH+](CCC)Cc1cc2c(cc1[O-])CC[C@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@H]21	ZINC000008615414	570535414	/nfs/dbraw/zinc/53/54/14/570535414.db2.gz	ZTWPYCVZXVNGJI-SEINPYIVSA-N	0	3	383.576	5.439	40	10		GKCBHN
CCN(CC)CCOC(=O)c1ccc(NN=C2C=C(Cl)C(C)=CC2=O)cc1	ZINC000104345726	570301631	/nfs/dbraw/zinc/30/16/31/570301631.db2.gz	FTCZUKCXGMVRIF-FCQUAONHSA-N	0	3	389.883	5.268	40	10		GKCBHN
CCC[NH+](CCC)Cc1cc2c(cc1[O-])CC[C@@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@H]21	ZINC000104354050	570301946	/nfs/dbraw/zinc/30/19/46/570301946.db2.gz	ZTWPYCVZXVNGJI-IXGWMPLNSA-N	0	3	383.576	5.439	40	10		GKCBHN
CCN(CC)CCOC(=O)c1ccc(NN=C2C=CC(=O)c3ccccc32)cc1	ZINC000104345660	570301559	/nfs/dbraw/zinc/30/15/59/570301559.db2.gz	URYRCAKCGLDEBK-IZHYLOQSSA-N	0	3	391.471	5.459	40	10		GKCBHN
CCC[NH+](CCC)Cc1cc2c(cc1[O-])CC[C@@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@@H]21	ZINC000104354061	570301960	/nfs/dbraw/zinc/30/19/60/570301960.db2.gz	ZTWPYCVZXVNGJI-BVVSVSJTSA-N	0	3	383.576	5.439	40	10		GKCBHN
CCN(CC)CC1=c2ccccc2=CC(=NNc2cccc3ccccc32)C1=O	ZINC000005492944	570442646	/nfs/dbraw/zinc/44/26/46/570442646.db2.gz	ZIEAKLAIBVZNDU-CYYJNZCTSA-N	0	3	383.495	6.956	40	10		GKCBHN
CN1CCCc2cc(CN3CCC[C@@H]3c3ccc(Cc4ccccc4)cn3)ccc21	ZINC000257312065	212021388	/nfs/dbraw/zinc/02/13/88/212021388.db2.gz	UMIZDHCSJCFKIK-HHHXNRCGSA-N	0	3	397.566	5.392	40	10		GKCBHN
Cc1ccc2c(c1)nc1ccccc1c2Nc1ccc(NS(C)(=O)=O)cc1C	ZINC000004773118	220763426	/nfs/dbraw/zinc/76/34/26/220763426.db2.gz	BUYZGDHJMRZPRB-UHFFFAOYSA-N	0	3	391.496	5.120	40	10		GKCBHN
CN(C)c1ccc(CN(Cc2ccccc2)C[C@@H](O)c2ccc(Cl)cc2)cc1	ZINC000095935040	208240731	/nfs/dbraw/zinc/24/07/31/208240731.db2.gz	XXXMXQTVJZBBAG-XMMPIXPASA-N	0	3	394.946	5.142	40	10		GKCBHN
CCC[NH+](CCC)Cc1cc2c(cc1[O-])CC[C@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@@H]21	ZINC000008615415	221046789	/nfs/dbraw/zinc/04/67/89/221046789.db2.gz	ZTWPYCVZXVNGJI-KLPRUGGUSA-N	0	3	383.576	5.439	40	10		GKCBHN
CC(C)(C)CC(C)(C)c1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1	ZINC000003084354	136193593	/nfs/dbraw/zinc/19/35/93/136193593.db2.gz	HVWYUIWYDVVWMT-UHFFFAOYSA-N	0	3	380.576	5.428	40	10		GKCBHN
CC/C(=C(\CC)c1ccc([O-])c(C[NH+]2CCCCC2)c1)c1ccc(OC)cc1	ZINC000001641574	570266384	/nfs/dbraw/zinc/26/63/84/570266384.db2.gz	DYCPAQKCVNRCQY-VHXPQNKSSA-N	0	3	379.544	6.118	40	10		GKCBHN
CC[NH+](CC)Cc1cc(C(C)(C)c2ccccc2)cc(C2CCCCC2)c1[O-]	ZINC000001683281	570267236	/nfs/dbraw/zinc/26/72/36/570267236.db2.gz	VAEPITRUOFMBPS-UHFFFAOYSA-N	0	3	379.588	6.608	40	10		GKCBHN
CCN(CC)CC1=CC(=NNc2cccc3ccccc32)c2ccccc2C1=O	ZINC000104201578	570299150	/nfs/dbraw/zinc/29/91/50/570299150.db2.gz	IHCYJXMELQMPTG-RQZHXJHFSA-N	0	3	383.495	6.956	40	10		GKCBHN
CN(C)CC/C(Br)=C1/c2ccccc2Sc2ccc(Cl)cc21	ZINC000017353410	570946103	/nfs/dbraw/zinc/94/61/03/570946103.db2.gz	GIPZEBVVCBOXAG-OBGWFSINSA-N	0	3	394.765	5.911	40	10		GKCBHN