smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)ccc1OCCN(C)C	ZINC000262495878	154233634	/nfs/dbraw/zinc/23/36/34/154233634.db2.gz	KALSCSZZNGJXKY-KBPBESRZSA-N	1	3	337.420	-0.025	10	0		EBAEHO
CN(C)C[C@H]1CN(CCCN2CCO[C@@H](C[NH+](C)C)C2)CCO1	ZINC000247060566	289217892	/nfs/dbraw/zinc/21/78/92/289217892.db2.gz	RJQTTZPKGGUUHE-IRXDYDNUSA-N	1	3	328.501	-0.099	10	0		EBAEHO
C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)n1	ZINC000178881322	154121050	/nfs/dbraw/zinc/12/10/50/154121050.db2.gz	WXADKFXGHCCSCP-CYBMUJFWSA-N	1	3	334.424	-0.310	10	0		EBAEHO
CN1CC2(C[C@@H]1C(=O)N1CCc3c(c(CO)nn3C)C1)CC[NH2+]CC2	ZINC000072418242	545685375	/nfs/dbraw/zinc/68/53/75/545685375.db2.gz	AJVZVFAKABDMEH-MRXNPFEDSA-N	1	3	347.463	-0.129	10	0		EBAEHO
CN(C)C[C@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CCO1	ZINC000179315982	154123639	/nfs/dbraw/zinc/12/36/39/154123639.db2.gz	VBQFOJMSRSPTNM-INIZCTEOSA-N	1	3	341.500	-0.016	10	0		EBAEHO
CN(C)C[C@@H]1CN(CCCN2CCO[C@H](C[NH+](C)C)C2)CCO1	ZINC000158004112	289202161	/nfs/dbraw/zinc/20/21/61/289202161.db2.gz	RJQTTZPKGGUUHE-IAGOWNOFSA-N	1	3	328.501	-0.099	10	0		EBAEHO
COc1cc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)ccc1OCCN(C)C	ZINC000262495879	154233387	/nfs/dbraw/zinc/23/33/87/154233387.db2.gz	KALSCSZZNGJXKY-KGLIPLIRSA-N	1	3	337.420	-0.025	10	0		EBAEHO
CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)CC1=O	ZINC000262229253	154218922	/nfs/dbraw/zinc/21/89/22/154218922.db2.gz	KEFDKEWSJYAYNW-BARDWOONSA-N	1	3	338.452	-0.984	10	0		EBAEHO
CNC(=O)NC(=O)CCN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000408079956	419191606	/nfs/dbraw/zinc/19/16/06/419191606.db2.gz	ITGPLZQEHLZGHX-ZDUSSCGKSA-N	1	3	325.457	-0.068	10	0		EBAEHO
C[NH+]1CCC(N2CCC(NC(=O)CSCC(N)=O)CC2)CC1	ZINC000051470852	154087538	/nfs/dbraw/zinc/08/75/38/154087538.db2.gz	FZBIUZUKPWNEBL-UHFFFAOYSA-N	1	3	328.482	-0.120	10	0		EBAEHO
CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1	ZINC000261632442	154196259	/nfs/dbraw/zinc/19/62/59/154196259.db2.gz	CYCVLOFSLBLXMK-KGLIPLIRSA-N	1	3	326.441	-0.495	10	0		EBAEHO
CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)CC1=O	ZINC000262230363	154220328	/nfs/dbraw/zinc/22/03/28/154220328.db2.gz	KEFDKEWSJYAYNW-TUVASFSCSA-N	1	3	338.452	-0.984	10	0		EBAEHO
CNC(=O)NC(=O)CCN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1	ZINC000408079955	419191339	/nfs/dbraw/zinc/19/13/39/419191339.db2.gz	ITGPLZQEHLZGHX-CYBMUJFWSA-N	1	3	325.457	-0.068	10	0		EBAEHO
C[NH+]1CCC(N2CCC(NC(=O)C3CC(=O)NC(=O)C3)CC2)CC1	ZINC000171291606	154094130	/nfs/dbraw/zinc/09/41/30/154094130.db2.gz	ZQDOLTKQQHXWIQ-UHFFFAOYSA-N	1	3	336.436	-0.286	10	0		EBAEHO
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCC[NH3+])C(N)=O	ZINC000196464522	420808599	/nfs/dbraw/zinc/80/85/99/420808599.db2.gz	WHYFLVYSZQFSHS-AGIUHOORSA-N	1	3	341.456	-0.940	10	0		EBAEHO
CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[NH2+]C[C@H]2O)CC1=O	ZINC000262230359	154220070	/nfs/dbraw/zinc/22/00/70/154220070.db2.gz	KEFDKEWSJYAYNW-KBUPBQIOSA-N	1	3	338.452	-0.984	10	0		EBAEHO
COCCN1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1	ZINC000262207439	154218429	/nfs/dbraw/zinc/21/84/29/154218429.db2.gz	IOTXBVJUHUGSJO-XHSDSOJGSA-N	1	3	335.452	-0.050	10	0		EBAEHO
CN(CCN1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1)Cc1ccccc1	ZINC000262368631	154228523	/nfs/dbraw/zinc/22/85/23/154228523.db2.gz	JTJXTCPNEPBLQT-MSOLQXFVSA-N	1	3	346.475	-0.015	10	0		EBAEHO
CN1CC2(C[C@H]1C(=O)N1CCc3c(c(CO)nn3C)C1)CC[NH2+]CC2	ZINC000072418241	545685546	/nfs/dbraw/zinc/68/55/46/545685546.db2.gz	AJVZVFAKABDMEH-INIZCTEOSA-N	1	3	347.463	-0.129	10	0		EBAEHO
CN(CC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)S(C)(=O)=O	ZINC000050798858	154087583	/nfs/dbraw/zinc/08/75/83/154087583.db2.gz	NAZKAVLGIOXLCY-UHFFFAOYSA-N	1	3	346.497	-0.447	10	0		EBAEHO
C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)n1	ZINC000178881334	154121146	/nfs/dbraw/zinc/12/11/46/154121146.db2.gz	WXADKFXGHCCSCP-ZDUSSCGKSA-N	1	3	334.424	-0.310	10	0		EBAEHO
CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cn1	ZINC000261865802	154203576	/nfs/dbraw/zinc/20/35/76/154203576.db2.gz	XIKFVLKRCWKTLZ-TZMCWYRMSA-N	1	3	336.440	-0.126	10	0		EBAEHO
CN(C)C[C@@H]1CN(C(=O)NCCN2CCC([NH+](C)C)CC2)CCO1	ZINC000179315972	289198165	/nfs/dbraw/zinc/19/81/65/289198165.db2.gz	VBQFOJMSRSPTNM-MRXNPFEDSA-N	1	3	341.500	-0.016	10	0		EBAEHO
CN(C1CCN(C(=O)C2([NH3+])CCCC2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000643586291	375912528	/nfs/dbraw/zinc/91/25/28/375912528.db2.gz	VKQNPMNFAVHIQM-KFWWJZLASA-N	1	3	341.452	-0.699	10	0		EBAEHO
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(N)=O	ZINC000002560762	377152216	/nfs/dbraw/zinc/15/22/16/377152216.db2.gz	WHYFLVYSZQFSHS-AVGNSLFASA-N	1	3	341.456	-0.940	10	0		EBAEHO
C[C@H](O)C[NH+]1CCC(CN(C)Cc2cc(=O)n(C)c(=O)n2C)CC1	ZINC000171588617	154094273	/nfs/dbraw/zinc/09/42/73/154094273.db2.gz	TTXNHMSTHFLNDN-ZDUSSCGKSA-N	1	3	338.452	-0.391	10	0		EBAEHO
CN(CCN(C)C1CC[NH+](C)CC1)C[C@@H](O)CN1CCCC1=O	ZINC000245587646	154181784	/nfs/dbraw/zinc/18/17/84/154181784.db2.gz	FIKIOPVOWXPQLB-MRXNPFEDSA-N	1	3	326.485	-0.073	10	0		EBAEHO
O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@H]1C[NH2+]C[C@H]1O	ZINC000262308846	154222849	/nfs/dbraw/zinc/22/28/49/154222849.db2.gz	QGGQVAGDIQYQQR-DOTOQJQBSA-N	1	3	332.448	-0.105	10	0		EBAEHO
O=C(CNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)NCCN1CCCCC1	ZINC000909315309	719425570	/nfs/dbraw/zinc/42/55/70/719425570.db2.gz	IILRDDADHXODLN-LSDHHAIUSA-N	1	3	338.452	-0.432	10	0		EBAEHO
O=C(CNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)NCCN1CCCCC1	ZINC000909315309	719425573	/nfs/dbraw/zinc/42/55/73/719425573.db2.gz	IILRDDADHXODLN-LSDHHAIUSA-N	1	3	338.452	-0.432	10	0		EBAEHO
CC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(N)=O	ZINC000002571877	545942476	/nfs/dbraw/zinc/94/24/76/545942476.db2.gz	WHYFLVYSZQFSHS-XQQFMLRXSA-N	1	3	341.456	-0.940	10	0		EBAEHO
O=C(CNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NCCN1CCCCC1	ZINC000909315306	719425557	/nfs/dbraw/zinc/42/55/57/719425557.db2.gz	IILRDDADHXODLN-CABCVRRESA-N	1	3	338.452	-0.432	10	0		EBAEHO
O=C(CNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NCCN1CCCCC1	ZINC000909315306	719425559	/nfs/dbraw/zinc/42/55/59/719425559.db2.gz	IILRDDADHXODLN-CABCVRRESA-N	1	3	338.452	-0.432	10	0		EBAEHO
CN(CCN(C)C1CC[NH+](C)CC1)C[C@H](O)CN1CCCC1=O	ZINC000119316188	380609851	/nfs/dbraw/zinc/60/98/51/380609851.db2.gz	FIKIOPVOWXPQLB-INIZCTEOSA-N	1	3	326.485	-0.073	10	0		EBAEHO
C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cc(=O)n(C)c(=O)n2C)CC1	ZINC000171588623	154095392	/nfs/dbraw/zinc/09/53/92/154095392.db2.gz	TTXNHMSTHFLNDN-CYBMUJFWSA-N	1	3	338.452	-0.391	10	0		EBAEHO
Cn1cnc2c1c(=O)n(CCC[N@@H+]1C[C@H]3CN(C)C[C@H]3C1)c(=O)n2C	ZINC000193644856	154161480	/nfs/dbraw/zinc/16/14/80/154161480.db2.gz	VTOQXYQJTFEVQK-BETUJISGSA-N	1	3	346.435	-0.683	10	0		EBAEHO
Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@H]3CN(C)C[C@H]3C1)c(=O)n2C	ZINC000193644856	154161484	/nfs/dbraw/zinc/16/14/84/154161484.db2.gz	VTOQXYQJTFEVQK-BETUJISGSA-N	1	3	346.435	-0.683	10	0		EBAEHO
COCCN1CCC[C@@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1	ZINC000262207438	154218308	/nfs/dbraw/zinc/21/83/08/154218308.db2.gz	IOTXBVJUHUGSJO-OAGGEKHMSA-N	1	3	335.452	-0.050	10	0		EBAEHO
O=C(CCN1CCN(c2ccccc2)CC1)NC[C@@H]1C[NH2+]C[C@@H]1O	ZINC000262308851	154222986	/nfs/dbraw/zinc/22/29/86/154222986.db2.gz	QGGQVAGDIQYQQR-RDJZCZTQSA-N	1	3	332.448	-0.105	10	0		EBAEHO
CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)CC1=O	ZINC000262230361	154219692	/nfs/dbraw/zinc/21/96/92/154219692.db2.gz	KEFDKEWSJYAYNW-LXTVHRRPSA-N	1	3	338.452	-0.984	10	0		EBAEHO
COc1cc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)ccc1OCCN(C)C	ZINC000262495881	154233056	/nfs/dbraw/zinc/23/30/56/154233056.db2.gz	KALSCSZZNGJXKY-ZIAGYGMSSA-N	1	3	337.420	-0.025	10	0		EBAEHO
O=C(CCN1CCN(c2ccccc2)CC1)NC[C@H]1C[NH2+]C[C@H]1O	ZINC000262308849	154223674	/nfs/dbraw/zinc/22/36/74/154223674.db2.gz	QGGQVAGDIQYQQR-NVXWUHKLSA-N	1	3	332.448	-0.105	10	0		EBAEHO
O=C(CCN1CCN(c2ccccc2)CC1)NC[C@H]1C[NH2+]C[C@@H]1O	ZINC000262308853	154223024	/nfs/dbraw/zinc/22/30/24/154223024.db2.gz	QGGQVAGDIQYQQR-WBVHZDCISA-N	1	3	332.448	-0.105	10	0		EBAEHO
O=C(CNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NCCN1CCCCC1	ZINC000909315308	719425479	/nfs/dbraw/zinc/42/54/79/719425479.db2.gz	IILRDDADHXODLN-HUUCEWRRSA-N	1	3	338.452	-0.432	10	0		EBAEHO
O=C(CNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)NCCN1CCCCC1	ZINC000909315308	719425480	/nfs/dbraw/zinc/42/54/80/719425480.db2.gz	IILRDDADHXODLN-HUUCEWRRSA-N	1	3	338.452	-0.432	10	0		EBAEHO
O=C(CNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NCCN1CCCCC1	ZINC000909315307	719425509	/nfs/dbraw/zinc/42/55/09/719425509.db2.gz	IILRDDADHXODLN-GJZGRUSLSA-N	1	3	338.452	-0.432	10	0		EBAEHO
O=C(CNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)NCCN1CCCCC1	ZINC000909315307	719425510	/nfs/dbraw/zinc/42/55/10/719425510.db2.gz	IILRDDADHXODLN-GJZGRUSLSA-N	1	3	338.452	-0.432	10	0		EBAEHO
Nc1ncnc(N2CCNCC2)c1-c1ccc(N2CC[NH2+]CC2)nc1	ZINC000584645212	381234839	/nfs/dbraw/zinc/23/48/39/381234839.db2.gz	VASMPEUFYCNJNY-UHFFFAOYSA-N	1	3	340.435	-0.060	10	0		EBAEHO
CC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](N)CCCC[NH3+])C(N)=O	ZINC000196464549	420808288	/nfs/dbraw/zinc/80/82/88/420808288.db2.gz	WHYFLVYSZQFSHS-UPJWGTAASA-N	1	3	341.456	-0.940	10	0		EBAEHO