smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@]1(CC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000004092250	204121015	/nfs/dbraw/zinc/12/10/15/204121015.db2.gz	LOQQSTKCOAGMGJ-ZKNHNOBHSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCOC(=O)[C@]1(CC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000019500733	206326504	/nfs/dbraw/zinc/32/65/04/206326504.db2.gz	LOQQSTKCOAGMGJ-QCBUCWTNSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21	ZINC000012496200	206291676	/nfs/dbraw/zinc/29/16/76/206291676.db2.gz	NOSSHDVZLGRGSS-QCBUCWTNSA-N	1	2	373.453	1.340	40	10		FDCBLO
COC(=O)C=C1[NH2+]N(c2ccc(OC)cc2)C([O-])=C1C(C)=[NH+]CCCO	ZINC000017074387	518775278	/nfs/dbraw/zinc/77/52/78/518775278.db2.gz	PQMNBRVHGQWNFC-ATVHPVEESA-N	1	2	361.398	1.207	40	10		FDCBLO
CC(NCC[NH+]1CCOCC1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C	ZINC000103916562	525379585	/nfs/dbraw/zinc/37/95/85/525379585.db2.gz	ZMKIMECVUGDBMI-LGMDPLHJSA-N	1	2	373.413	1.513	40	10		FDCBLO
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21	ZINC000169297146	209374893	/nfs/dbraw/zinc/37/48/93/209374893.db2.gz	NOSSHDVZLGRGSS-AXHMDWHKSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCOC(=O)[C@]1(CC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000019500731	518814098	/nfs/dbraw/zinc/81/40/98/518814098.db2.gz	LOQQSTKCOAGMGJ-KSVNGYGVSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(N(C)C)cc1)[NH2+][C@]2(CC)C(=O)OC	ZINC000033938627	519590654	/nfs/dbraw/zinc/59/06/54/519590654.db2.gz	OSRSMJVABVAEOV-ULMVMLMRSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)[NH2+][C@@](CC)(C(=O)OC)[C@H]2C1=O	ZINC000019500735	518814525	/nfs/dbraw/zinc/81/45/25/518814525.db2.gz	OSRSMJVABVAEOV-KSVNGYGVSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCN1C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)[NH2+][C@](CC)(C(=O)OC)[C@H]2C1=O	ZINC000100420687	222242864	/nfs/dbraw/zinc/24/28/64/222242864.db2.gz	OSRSMJVABVAEOV-QOIOWGMHSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000019501988	211226420	/nfs/dbraw/zinc/22/64/20/211226420.db2.gz	HQPNGGNTCWPKQY-ZKNHNOBHSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21	ZINC000004093200	518285467	/nfs/dbraw/zinc/28/54/67/518285467.db2.gz	NOSSHDVZLGRGSS-UIVXKWKOSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000019501989	211226774	/nfs/dbraw/zinc/22/67/74/211226774.db2.gz	HQPNGGNTCWPKQY-ULMVMLMRSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCOC(=O)CNC(=O)C([N+]#N)=C(O)COc1ccc(Cl)cc1Cl	ZINC000004934727	518320014	/nfs/dbraw/zinc/32/00/14/518320014.db2.gz	FEVDLNOVJFRKEV-UHFFFAOYSA-N	1	2	374.180	1.291	40	10		FDCBLO
CCC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000100420300	222243137	/nfs/dbraw/zinc/24/31/37/222243137.db2.gz	HQPNGGNTCWPKQY-QOIOWGMHSA-N	1	2	373.453	1.340	40	10		FDCBLO
O=C1N=C(N2CC[NH+](CCO)CC2)S/C1=C\c1ccc([N+](=O)[O-])cc1	ZINC000006888970	518391723	/nfs/dbraw/zinc/39/17/23/518391723.db2.gz	VBYADLCPQQICOT-KAMYIIQDSA-N	1	2	362.411	1.175	40	10		FDCBLO
CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000245229866	521303709	/nfs/dbraw/zinc/30/37/09/521303709.db2.gz	HQPNGGNTCWPKQY-ASKKUZCQSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccc(N(C)C)cc1)[NH2+][C@@]2(CC)C(=O)OC	ZINC000004856744	518316806	/nfs/dbraw/zinc/31/68/06/518316806.db2.gz	OSRSMJVABVAEOV-ZKNHNOBHSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000245229867	521303998	/nfs/dbraw/zinc/30/39/98/521303998.db2.gz	HQPNGGNTCWPKQY-MFCZKXCZSA-N	1	2	373.453	1.340	40	10		FDCBLO
CN(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3cnccn3)no2)cc1	ZINC000015674030	220159218	/nfs/dbraw/zinc/15/92/18/220159218.db2.gz	NEDZWQLROAZMET-WBVHZDCISA-N	1	2	366.425	1.901	40	10	biogenic,in-vitro	FDCBLO
CN(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3cnccn3)no2)cc1	ZINC000015674030	220159222	/nfs/dbraw/zinc/15/92/22/220159222.db2.gz	NEDZWQLROAZMET-WBVHZDCISA-N	1	2	366.425	1.901	40	10	biogenic,in-vitro	FDCBLO
CCOc1ccccc1/C=C1\SC(N2CC[NH+](CCO)CC2)=NC1=O	ZINC000009189186	204356379	/nfs/dbraw/zinc/35/63/79/204356379.db2.gz	BFBAOAHIKAWKBX-SSZFMOIBSA-N	1	2	361.467	1.666	40	10		FDCBLO
CCOC(=O)[C@@]1(CC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000019500730	206325953	/nfs/dbraw/zinc/32/59/53/206325953.db2.gz	LOQQSTKCOAGMGJ-QOIOWGMHSA-N	1	2	373.453	1.340	40	10		FDCBLO
COc1ccc(N2CC[NH+](CCNc3ncnc4[nH]cnc43)CC2)cc1	ZINC000002719656	536699339	/nfs/dbraw/zinc/69/93/39/536699339.db2.gz	OBKHRLAFSCDSOS-UHFFFAOYSA-N	1	2	353.430	1.596	40	10		FDCBLO
CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000231642476	537586010	/nfs/dbraw/zinc/58/60/10/537586010.db2.gz	HQPNGGNTCWPKQY-NLDJYOPPSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21	ZINC000019526777	518815247	/nfs/dbraw/zinc/81/52/47/518815247.db2.gz	NOSSHDVZLGRGSS-ZFCANOHDSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000100420297	206224093	/nfs/dbraw/zinc/22/40/93/206224093.db2.gz	HQPNGGNTCWPKQY-KSVNGYGVSA-N	1	2	373.453	1.340	40	10		FDCBLO
C[NH+](C)c1ccc(NC=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1	ZINC000408547101	537848693	/nfs/dbraw/zinc/84/86/93/537848693.db2.gz	WADWJSWQFRPVRK-GDNBJRDFSA-N	1	2	354.366	1.920	40	10		FDCBLO
CCOC(=O)[C@]1(CC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000245230094	521353089	/nfs/dbraw/zinc/35/30/89/521353089.db2.gz	LOQQSTKCOAGMGJ-UIVXKWKOSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21	ZINC000004093198	518285567	/nfs/dbraw/zinc/28/55/67/518285567.db2.gz	NOSSHDVZLGRGSS-NARAOEGZSA-N	1	2	373.453	1.340	40	10		FDCBLO
COCCn1nnnc1[C@@H](C(C)C)[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000057613974	136129622	/nfs/dbraw/zinc/12/96/22/136129622.db2.gz	JLCCJGPESYAIMB-GOSISDBHSA-N	1	2	374.489	1.847	40	10		FDCBLO
CCOC(=O)[C@@]1(CC)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000004092251	518285432	/nfs/dbraw/zinc/28/54/32/518285432.db2.gz	LOQQSTKCOAGMGJ-ULMVMLMRSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@H]21	ZINC000100420610	222242780	/nfs/dbraw/zinc/24/27/80/222242780.db2.gz	NOSSHDVZLGRGSS-ZKNHNOBHSA-N	1	2	373.453	1.340	40	10		FDCBLO
COC(=O)C=C1[NH2+]N(c2ccccc2)C([O-])=C1C(C)=[NH+]CC(OC)OC	ZINC000017074390	518775422	/nfs/dbraw/zinc/77/54/22/518775422.db2.gz	VTXHAADVAXAAOB-ATVHPVEESA-N	1	2	361.398	1.435	40	10		FDCBLO
COCCn1nnnc1[C@H](C(C)C)[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000057613970	136129716	/nfs/dbraw/zinc/12/97/16/136129716.db2.gz	JLCCJGPESYAIMB-SFHVURJKSA-N	1	2	374.489	1.847	40	10		FDCBLO
CCOC(=O)[C@]1(CC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000169293178	525625461	/nfs/dbraw/zinc/62/54/61/525625461.db2.gz	LOQQSTKCOAGMGJ-AXHMDWHKSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21	ZINC000019501991	220263659	/nfs/dbraw/zinc/26/36/59/220263659.db2.gz	HQPNGGNTCWPKQY-ROYATCLZSA-N	1	2	373.453	1.340	40	10		FDCBLO
CCOC(=O)[C@]1(CC)[NH2+][C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21	ZINC000245230095	521353376	/nfs/dbraw/zinc/35/33/76/521353376.db2.gz	LOQQSTKCOAGMGJ-ZFCANOHDSA-N	1	2	373.453	1.340	40	10		FDCBLO
C[NH+]1CCN(/C=C2\C(=O)NC(=O)N(c3cccc4ccccc43)C2=O)CC1	ZINC000408536046	570517012	/nfs/dbraw/zinc/51/70/12/570517012.db2.gz	VLGXCZQANBRVPE-DTQAZKPQSA-N	1	2	364.405	1.554	40	10		FDCBLO
O=c1[nH]c(N2CCCCC2)nc2c1CC[N@@H+](Cc1ccc(O)c(O)c1)C2	ZINC000013566324	518660139	/nfs/dbraw/zinc/66/01/39/518660139.db2.gz	DVKZYINZLAESNK-UHFFFAOYSA-N	1	2	356.426	1.730	40	10		FDCBLO
O=c1[nH]c(N2CCCCC2)nc2c1CC[N@H+](Cc1ccc(O)c(O)c1)C2	ZINC000013566324	518660143	/nfs/dbraw/zinc/66/01/43/518660143.db2.gz	DVKZYINZLAESNK-UHFFFAOYSA-N	1	2	356.426	1.730	40	10		FDCBLO