smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc(C#N)ccc32)cc1	ZINC000005138674	204113882	/nfs/dbraw/zinc/11/38/82/204113882.db2.gz	GNAMSYNRHDVJQM-UHFFFAOYSA-N	1	2	388.452	4.375	1	30		GIEFLO
Cc1ccc2nc(/N=C3\C(=O)N(C[NH+](C)C)c4cccc(Cl)c43)sc2c1	ZINC000045351109	205095256	/nfs/dbraw/zinc/09/52/56/205095256.db2.gz	VZVNHAZJVNJUJJ-XLNRJJMWSA-N	1	2	384.892	4.245	1	30		GIEFLO
CCCCCCCCC[N@H+]1CC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C1	ZINC000049757416	205130584	/nfs/dbraw/zinc/13/05/84/205130584.db2.gz	PWEUKJDPKCPDJU-FQEVSTJZSA-N	1	2	388.552	4.196	1	30		GIEFLO
CCCCCCCCC[N@@H+]1CC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C1	ZINC000049757416	205130589	/nfs/dbraw/zinc/13/05/89/205130589.db2.gz	PWEUKJDPKCPDJU-FQEVSTJZSA-N	1	2	388.552	4.196	1	30		GIEFLO
CCCCCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccc3c(c2)OCO3)[NH2+]1	ZINC000044093816	205085404	/nfs/dbraw/zinc/08/54/04/205085404.db2.gz	UHDDCKCIBPBXNC-LAUBAEHRSA-N	1	2	392.565	4.376	1	30		GIEFLO
C[C@H](C#N)Cc1ccc(-c2c[nH+]c(N)c3cc(-c4ccnc(N)n4)ccc32)cc1	ZINC000045189338	205092899	/nfs/dbraw/zinc/09/28/99/205092899.db2.gz	OGPLDBLMSHXXAO-AWEZNQCLSA-N	1	2	380.455	4.225	1	30		GIEFLO
CCCCNC(=O)Oc1ccc2c(c3c(n2C)/C(=[NH+]\C)CC3)c1Br	ZINC000027716083	207329827	/nfs/dbraw/zinc/32/98/27/207329827.db2.gz	YAGWRKXZJCAONM-NDENLUEZSA-N	1	2	392.297	4.194	1	30		GIEFLO
N#Cc1c[nH]c(C(=O)Nc2ccc(-c3ccc(N)[nH+]c3)cc2C2=CCCCC2)n1	ZINC000053312716	222009415	/nfs/dbraw/zinc/00/94/15/222009415.db2.gz	WIJZTEXAANZDIG-UHFFFAOYSA-N	1	2	384.443	4.135	1	30		GIEFLO
C[C@H](Cc1c[nH]c[nH+]1)N=C(c1ccccc1)c1ccc(Br)cc1O	ZINC000027406245	207325184	/nfs/dbraw/zinc/32/51/84/207325184.db2.gz	KRLDOOREVNCJOO-AIKVESQPSA-N	1	2	384.277	4.346	1	30		GIEFLO
C[C@H](Cc1c[nH+]c[nH]1)N=C(c1ccccc1)c1ccc(Br)cc1O	ZINC000027406245	207325189	/nfs/dbraw/zinc/32/51/89/207325189.db2.gz	KRLDOOREVNCJOO-AIKVESQPSA-N	1	2	384.277	4.346	1	30		GIEFLO
N#Cc1ccc(Cn2cc[nH+]c2)cc1[S@@](=O)c1ccc(Cl)cc1Cl	ZINC000028256508	207338681	/nfs/dbraw/zinc/33/86/81/207338681.db2.gz	CCUIQJNXNTVBTI-XMMPIXPASA-N	1	2	376.268	4.277	1	30		GIEFLO
C=CC[NH+]1[C@@H]2Cc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)cc12	ZINC000031841134	206256484	/nfs/dbraw/zinc/25/64/84/206256484.db2.gz	OLODCUAUWYJGSM-RTBURBONSA-N	1	2	381.472	4.104	1	30		GIEFLO
COc1ccc(NC2=[NH+]C[C@@H](Cc3ccc(Br)cc3)S2)cc1	ZINC000000974836	206338683	/nfs/dbraw/zinc/33/86/83/206338683.db2.gz	PEDWTSPDIWXPOU-MRXNPFEDSA-N	1	2	377.307	4.393	3	30		GIEFLO
N#Cc1ccc(Cn2cc[nH+]c2)cc1[S@](=O)c1ccc(Cl)cc1Cl	ZINC000028256503	207339715	/nfs/dbraw/zinc/33/97/15/207339715.db2.gz	CCUIQJNXNTVBTI-DEOSSOPVSA-N	1	2	376.268	4.277	1	30		GIEFLO
C=CC[NH+]1CCN([C@H](c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1	ZINC000022939504	206251958	/nfs/dbraw/zinc/25/19/58/206251958.db2.gz	PAIJMERJJOWHIB-XMMPIXPASA-N	1	2	391.559	4.062	1	30		GIEFLO
C#Cc1cccc(Nc2[nH+]cnc3[nH]c(C(=O)c4cc5ccccc5[nH]4)cc32)c1	ZINC000082155409	209235767	/nfs/dbraw/zinc/23/57/67/209235767.db2.gz	CGISEMWDKJPLDM-UHFFFAOYSA-N	1	2	377.407	4.395	1	30		GIEFLO
Cn1c[nH+]cc1C#Cc1c2ccccc2sc1-c1ccc(S(C)(=O)=O)cc1	ZINC000061948034	212065877	/nfs/dbraw/zinc/06/58/77/212065877.db2.gz	MWRMPXRWKBIADM-UHFFFAOYSA-N	1	2	392.505	4.105	3	30		GIEFLO
C=CC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1	ZINC000022450891	209175881	/nfs/dbraw/zinc/17/58/81/209175881.db2.gz	PAIJMERJJOWHIB-DEOSSOPVSA-N	1	2	391.559	4.062	1	30		GIEFLO
CCNC(=[NH2+])Nc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1	ZINC000013735784	210085926	/nfs/dbraw/zinc/08/59/26/210085926.db2.gz	LRBSKQKIUNQPPY-UHFFFAOYSA-N	1	2	382.489	4.050	1	30		GIEFLO
COc1ccc(-c2sc3cc4c(cc3c2C#Cc2c[nH+]cn2C)OCO4)cc1	ZINC000061948087	212065018	/nfs/dbraw/zinc/06/50/18/212065018.db2.gz	YKXQRCVZUOOZID-UHFFFAOYSA-N	1	2	388.448	4.439	3	30		GIEFLO
CC1CCC(N/C(=N\O)c2ccc(Oc3ccc(-n4cc[nH+]c4)cc3)nc2)CC1	ZINC000072181188	211081280	/nfs/dbraw/zinc/08/12/80/211081280.db2.gz	UXYKYSCDFHXCRK-UHFFFAOYSA-N	1	2	391.475	4.364	1	30		GIEFLO
CC(C)[NH+](C[C@@H](O)COc1ccc(/C=C/C(=O)c2ccccc2)cc1)C(C)C	ZINC000028891083	221685261	/nfs/dbraw/zinc/68/52/61/221685261.db2.gz	HYYLLMYUYIRUIE-OWSFEGEDSA-N	1	2	381.516	4.441	1	30		GIEFLO
COc1ccc(NC2=[NH+]C[C@H](Cc3ccc(Br)cc3)S2)cc1	ZINC000000974837	212201505	/nfs/dbraw/zinc/20/15/05/212201505.db2.gz	PEDWTSPDIWXPOU-INIZCTEOSA-N	1	2	377.307	4.393	3	30		GIEFLO
CN(C)C(=[NH2+])Nc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ns1	ZINC000013727703	221285537	/nfs/dbraw/zinc/28/55/37/221285537.db2.gz	KXLWSFHVIJCNCX-UHFFFAOYSA-N	1	2	375.542	4.014	1	30		GIEFLO
COc1ccccc1-c1sc2cc3c(cc2c1C#Cc1c[nH+]cn1C)OCO3	ZINC000061948056	222063853	/nfs/dbraw/zinc/06/38/53/222063853.db2.gz	JHFZIOXMCPUGLO-UHFFFAOYSA-N	1	2	388.448	4.439	3	30		GIEFLO
COc1ccc(-c2nc(NC(=[NH2+])NC(C)C)sc2-c2ccc(OC)cc2)cc1	ZINC000013735787	221285284	/nfs/dbraw/zinc/28/52/84/221285284.db2.gz	YPWUXRRNLWBXNY-UHFFFAOYSA-N	1	2	396.516	4.439	1	30		GIEFLO