smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nnc([C@@H]2CCC[N@H+](Cc3ccccc3OCCN3CCOCC3)C2)[nH]1	ZINC000217788002	570321672	/nfs/dbraw/zinc/32/16/72/570321672.db2.gz	LSMRBCHHEJCLJS-LJQANCHMSA-N	1	0	385.512	2.204	50	70		GEIARO
Cc1nnc([C@H]2CCC[N@H+](Cc3ccccc3OCCN3CCOCC3)C2)[nH]1	ZINC000217788080	570321751	/nfs/dbraw/zinc/32/17/51/570321751.db2.gz	LSMRBCHHEJCLJS-IBGZPJMESA-N	1	0	385.512	2.204	50	70		GEIARO
COc1ccccc1-n1cc([C@@H](C)NC(=O)CN(C)C2CC[NH+](C)CC2)cn1	ZINC000218172794	570327149	/nfs/dbraw/zinc/32/71/49/570327149.db2.gz	BJRQUXCJNSBSPK-MRXNPFEDSA-N	1	0	385.512	2.084	50	70		GEIARO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217723436	570371572	/nfs/dbraw/zinc/37/15/72/570371572.db2.gz	NPVGNYPQZCUENW-KCXPTXFHSA-N	1	0	391.402	2.257	50	70		GEIARO
C[NH+](C)CCO[C@H]1CCOC[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1	ZINC000218095495	570325396	/nfs/dbraw/zinc/32/53/96/570325396.db2.gz	XFQCWTNYMYZGHT-CVEARBPZSA-N	1	0	375.296	2.388	50	70		GEIARO
Cn1c(CN2CCN(c3ccccc3)CC2)cc(=O)c(O)c1C[NH+]1CCCCC1	ZINC000218121949	136203583	/nfs/dbraw/zinc/20/35/83/136203583.db2.gz	QIYWCNHBAZNPIR-UHFFFAOYSA-N	1	0	396.535	2.399	50	70		GEIARO
[NH3+]C1CC(c2cc(N3CCC(C(=O)NCCc4ccccc4)CC3)ncn2)C1	ZINC000218668740	136203794	/nfs/dbraw/zinc/20/37/94/136203794.db2.gz	PITKKDGZEWMQRY-UHFFFAOYSA-N	1	0	379.508	2.257	50	70		GEIARO
C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(C(=O)Cc1cccc(Cl)c1)C2	ZINC000218002588	570323846	/nfs/dbraw/zinc/32/38/46/570323846.db2.gz	BURXCMJAIKFKSX-SFHVURJKSA-N	1	0	376.888	2.107	50	70		GEIARO
C[C@@H](NC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1)C1CC[NH+](C)CC1	ZINC000218437123	208836057	/nfs/dbraw/zinc/83/60/57/208836057.db2.gz	NVBYHXUFPJHVMO-OAHLLOKOSA-N	1	0	378.538	2.358	50	70		GEIARO
Nc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCN(c3ccc(F)c(Cl)c3)CC2)n1	ZINC000218249201	136203754	/nfs/dbraw/zinc/20/37/54/136203754.db2.gz	MAVJUFFHMONKAH-TXEJJXNPSA-N	1	0	376.867	2.383	50	70		GEIARO
COc1ccccc1N1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1=O	ZINC000217688178	209184742	/nfs/dbraw/zinc/18/47/42/209184742.db2.gz	RUTPNRQEZGCVJK-RCCFBDPRSA-N	1	0	385.508	2.429	50	70		GEIARO
C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cc1cccc(Cl)c1)C2	ZINC000218002501	570323779	/nfs/dbraw/zinc/32/37/79/570323779.db2.gz	BURXCMJAIKFKSX-GOSISDBHSA-N	1	0	376.888	2.107	50	70		GEIARO
COc1cn(CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(C)cc1=O	ZINC000218159119	570326489	/nfs/dbraw/zinc/32/64/89/570326489.db2.gz	LPNVADKIPYXZSH-UHFFFAOYSA-N	1	0	387.455	2.085	50	70		GEIARO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217723522	209184539	/nfs/dbraw/zinc/18/45/39/209184539.db2.gz	NPVGNYPQZCUENW-FBAVSBLXSA-N	1	0	391.402	2.257	50	70		GEIARO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217723250	209185308	/nfs/dbraw/zinc/18/53/08/209185308.db2.gz	XIRZRIMQXCVAIQ-KCXPTXFHSA-N	1	0	391.402	2.257	50	70		GEIARO
COc1ccccc1-n1cc([C@H](C)NC(=O)CN(C)C2CC[NH+](C)CC2)cn1	ZINC000218172880	570327202	/nfs/dbraw/zinc/32/72/02/570327202.db2.gz	BJRQUXCJNSBSPK-INIZCTEOSA-N	1	0	385.512	2.084	50	70		GEIARO
COc1cn(CC(=O)Nc2ccc3c(c2)ncn3CCC[NH+](C)C)c(C)cc1=O	ZINC000218379004	222587444	/nfs/dbraw/zinc/58/74/44/222587444.db2.gz	JBEISFYKMOMQHS-UHFFFAOYSA-N	1	0	397.479	2.105	50	70		GEIARO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cccc(F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217723352	212114007	/nfs/dbraw/zinc/11/40/07/212114007.db2.gz	XIRZRIMQXCVAIQ-FBAVSBLXSA-N	1	0	391.402	2.257	50	70		GEIARO
CN(C)[C@H](C(=O)N1CCC2(CC1)C[N@H+](C)CCCN2C)c1cccc(F)c1	ZINC000217198374	231030454	/nfs/dbraw/zinc/03/04/54/231030454.db2.gz	CTGJFCKAINYOEZ-IBGZPJMESA-N	1	0	376.520	2.057	50	70		GEIARO
COC(=O)CC1CCN(Cc2oc(C[NH+]3CCCCCC3)cc(=O)c2O)CC1	ZINC000218321061	570820171	/nfs/dbraw/zinc/82/01/71/570820171.db2.gz	WLTGHGLESSXYIP-UHFFFAOYSA-N	1	0	392.496	2.497	50	70		GEIARO
COc1cccc(N2C[C@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2=O)c1	ZINC000217672699	212112633	/nfs/dbraw/zinc/11/26/33/212112633.db2.gz	VCJAEHZANBYVDX-SQGPQFPESA-N	1	0	385.508	2.429	50	70		GEIARO
C[C@H](NC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1)C1CC[NH+](C)CC1	ZINC000218437187	570334015	/nfs/dbraw/zinc/33/40/15/570334015.db2.gz	NVBYHXUFPJHVMO-HNNXBMFYSA-N	1	0	378.538	2.358	50	70		GEIARO
COCCCn1c(C)cc(C)c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1=O	ZINC000218080399	212112322	/nfs/dbraw/zinc/11/23/22/212112322.db2.gz	XMBXEMRDEDHINM-RBUKOAKNSA-N	1	0	389.540	2.496	50	70		GEIARO