smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(Cn2cc[nH+]c2)cc1Oc1cccc(NC(=O)c2ccccc2)c1	ZINC000028255722	581101103	/nfs/dbraw/zinc/10/11/03/581101103.db2.gz	PCEQFKLIONHDSE-UHFFFAOYSA-N	1	2	394.434	4.848	1	30		GJEFLO
CC1(C)CC(=O)C2=C(C1)Oc1[nH+]c3c(c(N)c1[C@@H]2c1ccc(F)cc1)CCCC3	ZINC000040916135	205075953	/nfs/dbraw/zinc/07/59/53/205075953.db2.gz	SYLIQOKJWDYHQG-LJQANCHMSA-N	1	2	392.474	4.849	1	30		GJEFLO
CC(C)N=C1C=C(C2=CC(=[NH+]C(C)C)[C@H]3C=CCC=C3C2=O)C(=O)c2ccccc21	ZINC000101303251	211399272	/nfs/dbraw/zinc/39/92/72/211399272.db2.gz	YYFKCCQODXRHIY-NYPZTAJJSA-N	1	2	398.506	4.724	1	30		GJEFLO
C#CCN1C=[NH+][C@H](c2ccc(OC)cc2Cl)[C@H]1c1ccc(OC)cc1Cl	ZINC000040423198	206193111	/nfs/dbraw/zinc/19/31/11/206193111.db2.gz	YCTOFLDXGDPICA-WOJBJXKFSA-N	1	2	389.282	4.770	1	30		GJEFLO
COc1ccc2sc(-c3ccc(N(C)C)cc3)c(C#Cc3c[nH+]cn3C)c2c1	ZINC000061948083	212065095	/nfs/dbraw/zinc/06/50/95/212065095.db2.gz	FIQIREHJRCCPEX-UHFFFAOYSA-N	1	2	387.508	4.776	3	30		GJEFLO
C=CC[N@H+]1C[C@@H]2c3nc4ccccc4c(C)c3C[C@H]1CN2Cc1ccc(OC)cc1	ZINC000045506278	206195523	/nfs/dbraw/zinc/19/55/23/206195523.db2.gz	UJYVTFBXRHKUFI-NBGIEHNGSA-N	1	2	399.538	4.521	1	30		GJEFLO
C=CC[N@@H+]1C[C@@H]2c3nc4ccccc4c(C)c3C[C@H]1CN2Cc1ccc(OC)cc1	ZINC000045506278	206195528	/nfs/dbraw/zinc/19/55/28/206195528.db2.gz	UJYVTFBXRHKUFI-NBGIEHNGSA-N	1	2	399.538	4.521	1	30		GJEFLO
Cc1ccc(Oc2ccc(-c3csc(NC4=[NH+]CCCN4)n3)cc2)c(C)c1	ZINC000000608150	209250480	/nfs/dbraw/zinc/25/04/80/209250480.db2.gz	SIQZNDOLFCVHOE-UHFFFAOYSA-N	1	2	378.501	4.790	1	30	in-man	GJEFLO
C#CCN1C=[NH+][C@@H](c2ccc(OC)cc2Cl)[C@H]1c1ccc(OC)cc1Cl	ZINC000040423199	212040897	/nfs/dbraw/zinc/04/08/97/212040897.db2.gz	YCTOFLDXGDPICA-VQTJNVASSA-N	1	2	389.282	4.770	1	30		GJEFLO
N#Cc1ccc(Cn2c[nH+]cc2CNc2ccc(C(=O)c3ccccc3)cc2)cc1	ZINC000026978485	581101055	/nfs/dbraw/zinc/10/10/55/581101055.db2.gz	DJTWYNIHIMFJRU-UHFFFAOYSA-N	1	2	392.462	4.646	1	30		GJEFLO
Clc1ccccc1/C(=[NH+]/c1cccc(Br)c1)N1CCOCC1	ZINC000015987837	210181786	/nfs/dbraw/zinc/18/17/86/210181786.db2.gz	QESGNZQQXHOVHR-JZJYNLBNSA-N	1	2	379.685	4.513	1	30		GJEFLO
C=CCn1c(C)[nH+]c2ccc(Nc3nc(N4CCCC4)nc4ccccc43)cc21	ZINC000096909943	212076699	/nfs/dbraw/zinc/07/66/99/212076699.db2.gz	IZOVTSUYSNQQNT-UHFFFAOYSA-N	1	2	384.487	4.818	1	30		GJEFLO
CON=C1[C@@H]2CCC[C@H]1[C@@H](c1ccccc1OC)[N@@H+](C)[C@H]2c1ccccc1OC	ZINC000071317705	222180759	/nfs/dbraw/zinc/18/07/59/222180759.db2.gz	GIEHYZFDZFHXBU-OIBSYFMQSA-N	1	2	394.515	4.850	1	30		GJEFLO
CON=C1[C@@H]2CCC[C@H]1[C@@H](c1ccccc1OC)[N@H+](C)[C@H]2c1ccccc1OC	ZINC000071317705	222180762	/nfs/dbraw/zinc/18/07/62/222180762.db2.gz	GIEHYZFDZFHXBU-OIBSYFMQSA-N	1	2	394.515	4.850	1	30		GJEFLO
CC(C)N=C1C=C(C2=CC(=[NH+]C(C)C)[C@@H]3C=CCC=C3C2=O)C(=O)c2ccccc21	ZINC000096310990	211332440	/nfs/dbraw/zinc/33/24/40/211332440.db2.gz	YYFKCCQODXRHIY-SGLYCIRHSA-N	1	2	398.506	4.724	1	30		GJEFLO
N#Cc1ccc(Cn2cc[nH+]c2)cc1Oc1cccc(C(=O)Nc2ccccc2)c1	ZINC000028255411	581100999	/nfs/dbraw/zinc/10/09/99/581100999.db2.gz	GBDDVKMRTGPCDF-UHFFFAOYSA-N	1	2	394.434	4.848	1	30		GJEFLO
COc1ccc(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)c2c1C=CC(C)(C)O2	ZINC000084711444	205398517	/nfs/dbraw/zinc/39/85/17/205398517.db2.gz	IMHIECFOLIFOOR-UXBLZVDNSA-N	1	2	386.451	4.961	1	30		GJEFLO
C=CC[N@H+]1C[C@H]2c3nc4ccccc4c(C)c3C[C@@H]1CN2Cc1ccc(OC)cc1	ZINC000045506409	206194839	/nfs/dbraw/zinc/19/48/39/206194839.db2.gz	UJYVTFBXRHKUFI-NLFFAJNJSA-N	1	2	399.538	4.521	1	30		GJEFLO
C=CC[N@@H+]1C[C@H]2c3nc4ccccc4c(C)c3C[C@@H]1CN2Cc1ccc(OC)cc1	ZINC000045506409	206194842	/nfs/dbraw/zinc/19/48/42/206194842.db2.gz	UJYVTFBXRHKUFI-NLFFAJNJSA-N	1	2	399.538	4.521	1	30		GJEFLO
C#CCN1C=[NH+][C@@H](c2ccc(OC)cc2Cl)[C@@H]1c1ccc(OC)cc1Cl	ZINC000040423197	209092872	/nfs/dbraw/zinc/09/28/72/209092872.db2.gz	YCTOFLDXGDPICA-PMACEKPBSA-N	1	2	389.282	4.770	1	30		GJEFLO
C#CCN1C=[NH+][C@H](c2ccc(OC)cc2Cl)[C@@H]1c1ccc(OC)cc1Cl	ZINC000040423196	209092946	/nfs/dbraw/zinc/09/29/46/209092946.db2.gz	YCTOFLDXGDPICA-UXHICEINSA-N	1	2	389.282	4.770	1	30		GJEFLO
C[NH+](C)[C@@H](Cc1c(Cl)cccc1Cl)NC(=S)Nc1ccc(C#N)cc1	ZINC000026297010	207312218	/nfs/dbraw/zinc/31/22/18/207312218.db2.gz	NITGJTRQVFGFRC-KRWDZBQOSA-N	1	2	393.343	4.693	1	30		GJEFLO
Cc1[nH]c[nH+]c1C=NNc1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F	ZINC000058582160	222053863	/nfs/dbraw/zinc/05/38/63/222053863.db2.gz	ZYTQHUNICKGTEK-KXEZBXAJSA-N	1	2	387.287	4.750	1	30		GJEFLO
N#C[C@H](Cc1ccccc1Cl)C[NH+]1CCC2(CC1)OCCc1ccsc12	ZINC000084742372	208098329	/nfs/dbraw/zinc/09/83/29/208098329.db2.gz	AXICZPDGGKLLHF-INIZCTEOSA-N	1	2	386.948	4.648	1	30		GJEFLO
CN(C)c1ccc(C=[NH+]Nc2nc3ccccc3nc2Cc2ccccc2)cc1	ZINC000064548432	222072219	/nfs/dbraw/zinc/07/22/19/222072219.db2.gz	JCGMISOQLDHCLO-KOEQRZSOSA-N	1	2	381.483	4.733	1	30		GJEFLO
N#C[C@@H](Cc1ccccc1Cl)C[NH+]1CCC2(CC1)OCCc1ccsc12	ZINC000084742370	208098098	/nfs/dbraw/zinc/09/80/98/208098098.db2.gz	AXICZPDGGKLLHF-MRXNPFEDSA-N	1	2	386.948	4.648	1	30		GJEFLO
N#Cc1ccc(Cn2cc[nH+]c2)cc1Oc1cccc(C(=O)c2ccccc2)c1	ZINC000028251768	581100970	/nfs/dbraw/zinc/10/09/70/581100970.db2.gz	SQSRCLAOTRHUQX-UHFFFAOYSA-N	1	2	379.419	4.826	1	30		GJEFLO