smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cccc(-c2cc(C(F)(F)N3CCCC[C@H]3C3CC[NH2+]CC3)cnc2Cl)c1	ZINC001164419761	718893864	/nfs/dbraw/zinc/89/38/64/718893864.db2.gz	JIYQNYJQPGJUFY-NRFANRHFSA-N	1	0	430.930	5.177	20	30		IKEDRO
Cc1cccc2nc(Cl)c(C#N)c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c12	ZINC001164795231	721504432	/nfs/dbraw/zinc/50/44/32/721504432.db2.gz	HUMPBUARJUFVBW-UHFFFAOYSA-N	1	0	445.998	5.344	20	30		IKEDRO
Cc1cccc2nc(Cl)c(C#N)c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12	ZINC001165019807	721832453	/nfs/dbraw/zinc/83/24/53/721832453.db2.gz	CEUHTOPKTQINGY-QTGUNEKASA-N	1	0	445.998	5.200	20	30		IKEDRO
Cc1cccc2nc(Cl)c(C#N)c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c12	ZINC001165019810	721832495	/nfs/dbraw/zinc/83/24/95/721832495.db2.gz	CEUHTOPKTQINGY-ZEYPLWLESA-N	1	0	445.998	5.200	20	30		IKEDRO
Cc1ccc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c(C#N)c(Cl)c2c1	ZINC001165027072	721832651	/nfs/dbraw/zinc/83/26/51/721832651.db2.gz	RTDSQVXTGRZNNO-ANJVHQHFSA-N	1	0	445.998	5.200	20	30		IKEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3CCCC[C@@H]3CC[NH+]3CCCC3)c(Cl)nn2)c1	ZINC001165050528	721979457	/nfs/dbraw/zinc/97/94/57/721979457.db2.gz	UMINHPITKCNASZ-LJQANCHMSA-N	1	0	445.945	5.058	20	30		IKEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3CCCC[C@@H]3C3CC[NH2+]CC3)cnc2Cl)c1	ZINC001164419763	718893677	/nfs/dbraw/zinc/89/36/77/718893677.db2.gz	JIYQNYJQPGJUFY-OAQYLSRUSA-N	1	0	430.930	5.177	20	30		IKEDRO
N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCCCC34CC[NH2+]CC4)cc2c1Cl	ZINC001164421151	718912891	/nfs/dbraw/zinc/91/28/91/718912891.db2.gz	QINIPIVXELZCFT-UHFFFAOYSA-N	1	0	425.310	5.071	20	30		IKEDRO
Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(-c4cccs4)ccc2C#N)CC3)cs1	ZINC001164691597	719813745	/nfs/dbraw/zinc/81/37/45/719813745.db2.gz	IIJACDVVLVQEAD-UHFFFAOYSA-N	1	0	435.622	5.082	20	30		IKEDRO
N#Cc1cnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c2cc(-c3ccccc3)sc21	ZINC001164722020	720391533	/nfs/dbraw/zinc/39/15/33/720391533.db2.gz	BOZDIRSQGIDWFA-XZOQPEGZSA-N	1	0	437.572	5.083	20	30		IKEDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3ccccc3c(Cl)c1C#N)CC2	ZINC001164840917	720710214	/nfs/dbraw/zinc/71/02/14/720710214.db2.gz	SNMAIPCVDZQSPU-HXUWFJFHSA-N	1	0	446.982	5.020	20	30		IKEDRO
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)CC2	ZINC001164792847	721490590	/nfs/dbraw/zinc/49/05/90/721490590.db2.gz	NCNIQFNHTRKQBH-UHFFFAOYSA-N	1	0	441.554	5.035	20	30		IKEDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4cc(F)ccc4c(Cl)c3C#N)C[C@@H]21	ZINC001165025752	721831628	/nfs/dbraw/zinc/83/16/28/721831628.db2.gz	NRGLJTCUWVACLT-JFJYTDJESA-N	1	0	449.961	5.031	20	30		IKEDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4cc(F)ccc4c(Cl)c3C#N)C[C@@H]21	ZINC001165025754	721831849	/nfs/dbraw/zinc/83/18/49/721831849.db2.gz	NRGLJTCUWVACLT-XORNHQRDSA-N	1	0	449.961	5.031	20	30		IKEDRO
Cc1cccc2nc(Cl)c(C#N)c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12	ZINC001165019799	721832631	/nfs/dbraw/zinc/83/26/31/721832631.db2.gz	CEUHTOPKTQINGY-AVCGJXAMSA-N	1	0	445.998	5.200	20	30		IKEDRO
N#Cc1cccc(-c2cc(C(F)(F)N3CCCC[C@H]3CC[NH+]3CCCC3)c(Cl)nn2)c1	ZINC001165050527	721979274	/nfs/dbraw/zinc/97/92/74/721979274.db2.gz	UMINHPITKCNASZ-IBGZPJMESA-N	1	0	445.945	5.058	20	30		IKEDRO
Cc1cccc2nc(Cl)c(C#N)c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c12	ZINC001165019803	721832461	/nfs/dbraw/zinc/83/24/61/721832461.db2.gz	CEUHTOPKTQINGY-HARLFGEKSA-N	1	0	445.998	5.200	20	30		IKEDRO
Cc1ccc2nc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c(C#N)c(Cl)c2c1	ZINC001165027075	721832616	/nfs/dbraw/zinc/83/26/16/721832616.db2.gz	RTDSQVXTGRZNNO-OEOAZWSVSA-N	1	0	445.998	5.200	20	30		IKEDRO
N#Cc1cnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c2cc(-c3ccccc3)sc21	ZINC001164722013	720391044	/nfs/dbraw/zinc/39/10/44/720391044.db2.gz	BOZDIRSQGIDWFA-DHIUTWEWSA-N	1	0	437.572	5.083	20	30		IKEDRO
N#Cc1cnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c2cc(-c3ccccc3)sc21	ZINC001164722018	720391548	/nfs/dbraw/zinc/39/15/48/720391548.db2.gz	BOZDIRSQGIDWFA-GOTSBHOMSA-N	1	0	437.572	5.083	20	30		IKEDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(C#N)c3cc(Cl)ccc3n1)CC2	ZINC001164839879	720725040	/nfs/dbraw/zinc/72/50/40/720725040.db2.gz	NXQHRYUTYKMZBA-QFIPXVFZSA-N	1	0	446.982	5.020	20	30		IKEDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1c(C#N)c(Cl)nc3cccc(Cl)c31)[C@@H]2C	ZINC001164863668	721024540	/nfs/dbraw/zinc/02/45/40/721024540.db2.gz	UODUBDAFERZCCC-CQSZACIVSA-N	1	0	443.382	5.031	20	30		IKEDRO
Cc1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c(C#N)c(Cl)c2c1	ZINC001165027073	721832489	/nfs/dbraw/zinc/83/24/89/721832489.db2.gz	RTDSQVXTGRZNNO-JKFKMHIGSA-N	1	0	445.998	5.200	20	30		IKEDRO
N#Cc1ccc(-c2cc(C(F)(F)N3CCCC[C@H]3CC[NH+]3CCCC3)c(Cl)nn2)cc1	ZINC001165050549	721979248	/nfs/dbraw/zinc/97/92/48/721979248.db2.gz	UYWQTKJORAETCX-IBGZPJMESA-N	1	0	445.945	5.058	20	30		IKEDRO
N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCC4(CCCC[NH2+]4)CC3)cc2c1Cl	ZINC001164386954	718803925	/nfs/dbraw/zinc/80/39/25/718803925.db2.gz	HVSQZZXEPAMLMP-UHFFFAOYSA-N	1	0	425.310	5.071	20	30		IKEDRO
N#Cc1ccc(-c2cc(C(F)(F)N3CCCC[C@@H]3C3CC[NH2+]CC3)cnc2Cl)cc1	ZINC001164417756	718893804	/nfs/dbraw/zinc/89/38/04/718893804.db2.gz	ACJRJAHZKZLRIY-OAQYLSRUSA-N	1	0	430.930	5.177	20	30		IKEDRO
N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@@H]4[NH2+]Cc5ccccc5[C@@H]4C3)cc2c1Cl	ZINC001164428974	718948099	/nfs/dbraw/zinc/94/80/99/718948099.db2.gz	MQCKQRVIQIPZOF-HKUYNNGSSA-N	1	0	445.300	5.034	20	30		IKEDRO
Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(-c4ccc(F)cc4)ccc2C#N)CC3)cs1	ZINC001164694469	719804060	/nfs/dbraw/zinc/80/40/60/719804060.db2.gz	YXFVKUACUTUQMN-UHFFFAOYSA-N	1	0	447.583	5.159	20	30		IKEDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4cc(F)ccc4c(Cl)c3C#N)C[C@H]21	ZINC001165025753	721831889	/nfs/dbraw/zinc/83/18/89/721831889.db2.gz	NRGLJTCUWVACLT-POCHDABASA-N	1	0	449.961	5.031	20	30		IKEDRO
N#Cc1ccc(-c2cc(C(F)(F)N3CCCC[C@H]3C3CC[NH2+]CC3)cnc2Cl)cc1	ZINC001164417753	718893737	/nfs/dbraw/zinc/89/37/37/718893737.db2.gz	ACJRJAHZKZLRIY-NRFANRHFSA-N	1	0	430.930	5.177	20	30		IKEDRO
N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H]4[NH2+]Cc5ccccc5[C@H]4C3)cc2c1Cl	ZINC001164428979	718948047	/nfs/dbraw/zinc/94/80/47/718948047.db2.gz	MQCKQRVIQIPZOF-IEBWSBKVSA-N	1	0	445.300	5.034	20	30		IKEDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3ccccc3c(Cl)c1C#N)CC2	ZINC001164840916	720709366	/nfs/dbraw/zinc/70/93/66/720709366.db2.gz	SNMAIPCVDZQSPU-FQEVSTJZSA-N	1	0	446.982	5.020	20	30		IKEDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(C#N)c3cc(Cl)ccc3n1)CC2	ZINC001164839868	720724218	/nfs/dbraw/zinc/72/42/18/720724218.db2.gz	NXQHRYUTYKMZBA-JOCHJYFZSA-N	1	0	446.982	5.020	20	30		IKEDRO
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1c(C#N)c(Cl)nc3cccc(Cl)c31)[C@H]2C	ZINC001164863654	721024026	/nfs/dbraw/zinc/02/40/26/721024026.db2.gz	UODUBDAFERZCCC-AWEZNQCLSA-N	1	0	443.382	5.031	20	30		IKEDRO
Cc1ccc2nc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c(C#N)c(Cl)c2c1	ZINC001164795543	721504423	/nfs/dbraw/zinc/50/44/23/721504423.db2.gz	LBBUUQWCHWBGFQ-UHFFFAOYSA-N	1	0	445.998	5.344	20	30		IKEDRO
CC[NH+](CC)C1CCN(C(F)(F)c2ccc3nc(Cl)c(C#N)c(Cl)c3c2)CC1	ZINC001165054513	722008210	/nfs/dbraw/zinc/00/82/10/722008210.db2.gz	OQSHTOYBLGERSW-UHFFFAOYSA-N	1	0	427.326	5.269	20	30		IKEDRO
Fc1c(F)c(F)c(NC(=S)NCCC2CC[NH+](Cc3ccccc3)CC2)c(F)c1F	ZINC000013734788	563002254	/nfs/dbraw/zinc/00/22/54/563002254.db2.gz	WMWPFWRWNRYMSN-UHFFFAOYSA-N	1	0	443.485	5.382	20	30		IKEDRO
N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@@H]4[NH2+]Cc5ccccc5[C@H]4C3)cc2c1Cl	ZINC001164428984	718947985	/nfs/dbraw/zinc/94/79/85/718947985.db2.gz	MQCKQRVIQIPZOF-MJGOQNOKSA-N	1	0	445.300	5.034	20	30		IKEDRO
Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4ccccc4c(Cl)c2C#N)CC3)cs1	ZINC001164692070	719813407	/nfs/dbraw/zinc/81/34/07/719813407.db2.gz	LGFKOKUROILMCR-UHFFFAOYSA-N	1	0	438.000	5.160	20	30		IKEDRO
Cc1ccc2nc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c(C#N)c(Cl)c2c1	ZINC001165027074	721832504	/nfs/dbraw/zinc/83/25/04/721832504.db2.gz	RTDSQVXTGRZNNO-KUWBRRTOSA-N	1	0	445.998	5.200	20	30		IKEDRO
Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12	ZINC001164958943	722025380	/nfs/dbraw/zinc/02/53/80/722025380.db2.gz	GZFGQCNQAVXUFF-UHFFFAOYSA-N	1	0	449.961	5.095	20	30		IKEDRO
N#Cc1c(Cl)nc2ccc(C(F)(F)N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)cc2c1Cl	ZINC001164428987	718948216	/nfs/dbraw/zinc/94/82/16/718948216.db2.gz	MQCKQRVIQIPZOF-PKOBYXMFSA-N	1	0	445.300	5.034	20	30		IKEDRO
N#Cc1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c2cc(-c3ccccc3)sc21	ZINC001164722019	720391073	/nfs/dbraw/zinc/39/10/73/720391073.db2.gz	BOZDIRSQGIDWFA-PKTZIBPZSA-N	1	0	437.572	5.083	20	30		IKEDRO
C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3ccccc3c(Cl)c1C#N)CC2	ZINC001164795718	721500189	/nfs/dbraw/zinc/50/01/89/721500189.db2.gz	KKXUPNFPAHIDQM-UHFFFAOYSA-N	1	0	431.971	5.036	20	30		IKEDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4cc(F)ccc4c(Cl)c3C#N)C[C@H]21	ZINC001165025751	721831763	/nfs/dbraw/zinc/83/17/63/721831763.db2.gz	NRGLJTCUWVACLT-FQQGMQMYSA-N	1	0	449.961	5.031	20	30		IKEDRO
N#Cc1ccc(-c2cc(C(F)(F)N3CCCC[C@@H]3CC[NH+]3CCCC3)c(Cl)nn2)cc1	ZINC001165050550	721979278	/nfs/dbraw/zinc/97/92/78/721979278.db2.gz	UYWQTKJORAETCX-LJQANCHMSA-N	1	0	445.945	5.058	20	30		IKEDRO