smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C#Cc1ccccc1)NCC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1	ZINC000040424630	206193831	/nfs/dbraw/zinc/19/38/31/206193831.db2.gz	ZCPAKJKFPGVKMN-UHFFFAOYSA-N	1	2	388.471	2.134	3	30		GEEFLO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1c[nH+]c2n1CCCC2	ZINC000028871160	204882671	/nfs/dbraw/zinc/88/26/71/204882671.db2.gz	TVSPMOBQMRBHKM-WOJGMQOQSA-N	1	2	377.426	2.091	1	30		GEEFLO
CS(=O)(=O)C1CC[NH+](Cc2ccnc(Nc3ncc(C#N)s3)c2)CC1	ZINC000001491196	581096727	/nfs/dbraw/zinc/09/67/27/581096727.db2.gz	MAUCYALFIUOTRM-UHFFFAOYSA-N	1	2	377.495	2.162	1	30		GEEFLO
C=C(C)CN([C@H]1Cc2cc(C#N)ccc2N(Cc2c[nH+]cn2C)C1)S(C)(=O)=O	ZINC000028351066	581097947	/nfs/dbraw/zinc/09/79/47/581097947.db2.gz	YRBSHYLIBVCREO-SFHVURJKSA-N	1	2	399.520	2.061	1	30		GEEFLO
O=C1c2ccccc2C(=O)C(n2cc[nH+]c2)=C1NS(=O)(=O)c1ccccc1	ZINC000006244547	204172850	/nfs/dbraw/zinc/17/28/50/204172850.db2.gz	MAIPCAOTPKHYEC-UHFFFAOYSA-N	1	2	379.397	2.109	1	30		GEEFLO
C=CCNC(=O)[C@](C=C)(CC)N(CCCn1cc[nH+]c1)C(=O)c1cccnc1	ZINC000028953387	206255962	/nfs/dbraw/zinc/25/59/62/206255962.db2.gz	KIKLTBGXSMFZCR-NRFANRHFSA-N	1	2	381.480	2.448	1	30		GEEFLO
C[C@H]1COc2c(NCCNc3cccc[nH+]3)c(F)c(N)c3c2n1cc(C#N)c3=O	ZINC000073224571	222268617	/nfs/dbraw/zinc/26/86/17/222268617.db2.gz	IUUGIOMYSFREGO-NSHDSACASA-N	1	2	394.410	2.467	1	30		GEEFLO
N#Cc1ccc(C(=O)Nc2ccc(F)c([C@@]3(CF)NC(=[NH2+])OC[C@@H]3F)c2)nc1	ZINC000095601194	208238015	/nfs/dbraw/zinc/23/80/15/208238015.db2.gz	MMPPCMJOPZGPPA-MAUKXSAKSA-N	1	2	389.337	2.192	1	30	in-vitro	GEEFLO
N#Cc1cn(Cc2ccccc2)c2ncc(C(=O)NCC[NH+]3CCOCC3)cc12	ZINC000072323744	222225892	/nfs/dbraw/zinc/22/58/92/222225892.db2.gz	DTWCXRAJMRWOSU-UHFFFAOYSA-N	1	2	389.459	2.018	2	30		GEEFLO
CON=C(N)c1ccc(-c2ncc(-c3ccc(C(N)=[NH+]OC)cc3)s2)nc1	ZINC000049072950	207707378	/nfs/dbraw/zinc/70/73/78/207707378.db2.gz	OTTWROBAVZLWKV-UHFFFAOYSA-N	1	2	382.449	2.406	1	30		GEEFLO
O=C1OCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(C[NH2+]CC1=O)N2	ZINC000100870447	208384170	/nfs/dbraw/zinc/38/41/70/208384170.db2.gz	WMKRYVCUWZVNMN-ZDUSSCGKSA-N	1	2	379.185	2.353	1	30		GEEFLO
C=C(C)CN([C@@H]1Cc2cc(C#N)ccc2N(Cc2c[nH+]cn2C)C1)S(C)(=O)=O	ZINC000028351074	206255638	/nfs/dbraw/zinc/25/56/38/206255638.db2.gz	YRBSHYLIBVCREO-GOSISDBHSA-N	1	2	399.520	2.061	1	30		GEEFLO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1c[nH+]c2ccc(F)cn12	ZINC000028652826	207347043	/nfs/dbraw/zinc/34/70/43/207347043.db2.gz	SRHACBADLZEXMS-DJKKODMXSA-N	1	2	391.384	2.345	1	30		GEEFLO
C[C@H]1COc2c(NCCCn3cc[nH+]c3)c(F)c(N)c3c(=O)c(C#N)cn1c23	ZINC000073224557	222268429	/nfs/dbraw/zinc/26/84/29/222268429.db2.gz	RLVQQMZIWWFBPH-NSHDSACASA-N	1	2	382.399	2.247	1	30		GEEFLO
C#CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccccc2)c2ccc(F)cc2)CC1	ZINC000062225006	212064968	/nfs/dbraw/zinc/06/49/68/212064968.db2.gz	XXQDWDXZPNXTEX-OAQYLSRUSA-N	1	2	390.466	2.201	1	30		GEEFLO
C=CCNC(=O)[C@@](C=C)(CC)N(CCCn1cc[nH+]c1)C(=O)c1cccnc1	ZINC000028953385	209179618	/nfs/dbraw/zinc/17/96/18/209179618.db2.gz	KIKLTBGXSMFZCR-OAQYLSRUSA-N	1	2	381.480	2.448	1	30		GEEFLO
O=C1OCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(C[NH2+]CC1=O)N2	ZINC000100870446	211392288	/nfs/dbraw/zinc/39/22/88/211392288.db2.gz	WMKRYVCUWZVNMN-CYBMUJFWSA-N	1	2	379.185	2.353	1	30		GEEFLO
NC(=[NH2+])NC(=O)c1ccc(C2CCN(C(=O)C3CC3)CC2)c(C(F)(F)F)c1	ZINC000095556969	211277680	/nfs/dbraw/zinc/27/76/80/211277680.db2.gz	AZBYJNPBRNIJSK-UHFFFAOYSA-N	1	2	382.386	2.235	1	30		GEEFLO
C#CC[NH+]1CCN([C@H](c2nnnn2Cc2ccccc2)c2ccc(F)cc2)CC1	ZINC000058592471	212061380	/nfs/dbraw/zinc/06/13/80/212061380.db2.gz	XXQDWDXZPNXTEX-NRFANRHFSA-N	1	2	390.466	2.201	1	30		GEEFLO
Cc1[nH+]c2ccccc2n1Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)o1	ZINC000072127965	211072567	/nfs/dbraw/zinc/07/25/67/211072567.db2.gz	ONFOWENUUBUHBJ-LSDHHAIUSA-N	1	2	382.420	2.390	1	30		GEEFLO
C=CC[NH+]1CCN([C@H](c2nnnn2Cc2ccco2)c2ccccc2F)CC1	ZINC000020141645	212106333	/nfs/dbraw/zinc/10/63/33/212106333.db2.gz	WVSZFRCSBAFKQU-IBGZPJMESA-N	1	2	382.443	2.347	1	30		GEEFLO