smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cc(F)cc(F)c2)o1 ZINC000036740262 202331124 /nfs/dbraw/zinc/33/11/24/202331124.db2.gz XQSWBUOABHDBIE-UHFFFAOYSA-N 2 2 345.393 4.155 40 0 EIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cc(F)cc(F)c2)o1 ZINC000036740262 202331128 /nfs/dbraw/zinc/33/11/28/202331128.db2.gz XQSWBUOABHDBIE-UHFFFAOYSA-N 2 2 345.393 4.155 40 0 EIABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072359235 203204802 /nfs/dbraw/zinc/20/48/02/203204802.db2.gz VOXYOIKNUCFHLE-SFHVURJKSA-N 2 2 347.466 4.123 40 0 EIABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072359235 203204806 /nfs/dbraw/zinc/20/48/06/203204806.db2.gz VOXYOIKNUCFHLE-SFHVURJKSA-N 2 2 347.466 4.123 40 0 EIABLP c1cc2ccc(C[N@@H+]3CCC[C@@H](c4cccc5[nH+]ccn54)C3)cc2[nH]1 ZINC000585182573 563975054 /nfs/dbraw/zinc/97/50/54/563975054.db2.gz UCWUNHNDSWOZEE-GOSISDBHSA-N 2 2 330.435 4.195 40 0 EIABLP c1cc2ccc(C[N@H+]3CCC[C@@H](c4cccc5[nH+]ccn54)C3)cc2[nH]1 ZINC000585182573 563975055 /nfs/dbraw/zinc/97/50/55/563975055.db2.gz UCWUNHNDSWOZEE-GOSISDBHSA-N 2 2 330.435 4.195 40 0 EIABLP Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCC[N@H+](CC4CC4)C3)c2)n1 ZINC000257289446 564054789 /nfs/dbraw/zinc/05/47/89/564054789.db2.gz PYQFRBGQRXZTLM-MRXNPFEDSA-N 2 2 342.512 4.488 40 0 EIABLP Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCC[N@@H+](CC4CC4)C3)c2)n1 ZINC000257289446 564054790 /nfs/dbraw/zinc/05/47/90/564054790.db2.gz PYQFRBGQRXZTLM-MRXNPFEDSA-N 2 2 342.512 4.488 40 0 EIABLP Cc1sc2c([C@H]3CCC[NH2+]C3)[nH+]c(Nc3cccc(F)c3)n2c1C ZINC000019561745 202012122 /nfs/dbraw/zinc/01/21/22/202012122.db2.gz BBQWXQGGRKDBTF-ZDUSSCGKSA-N 2 2 344.459 4.362 40 0 EIABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072378682 203210711 /nfs/dbraw/zinc/21/07/11/203210711.db2.gz IBZOFIFQLKWQNW-NRFANRHFSA-N 2 2 346.478 4.345 40 0 EIABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000072378682 203210715 /nfs/dbraw/zinc/21/07/15/203210715.db2.gz IBZOFIFQLKWQNW-NRFANRHFSA-N 2 2 346.478 4.345 40 0 EIABLP Cc1cc(Nc2nccs2)cc([C@@H]2CCC[N@@H+](CC(C)C)C2)[nH+]1 ZINC000257257005 244284172 /nfs/dbraw/zinc/28/41/72/244284172.db2.gz KNRJJRMCNYBQEG-OAHLLOKOSA-N 2 2 330.501 4.426 40 0 EIABLP Cc1cc(Nc2nccs2)cc([C@@H]2CCC[N@H+](CC(C)C)C2)[nH+]1 ZINC000257257005 244284177 /nfs/dbraw/zinc/28/41/77/244284177.db2.gz KNRJJRMCNYBQEG-OAHLLOKOSA-N 2 2 330.501 4.426 40 0 EIABLP C/C1=[NH+]\CCSCc2ccccc2CSCC[NH2+]C(C)(C)C1 ZINC000095101065 563976654 /nfs/dbraw/zinc/97/66/54/563976654.db2.gz CTYXFIPCLTVCHO-XDJHFCHBSA-N 2 2 336.570 4.386 40 0 EIABLP CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072379063 203211322 /nfs/dbraw/zinc/21/13/22/203211322.db2.gz KXTRASNIXGTSOQ-IBGZPJMESA-N 2 2 347.466 4.123 40 0 EIABLP CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072379063 203211326 /nfs/dbraw/zinc/21/13/26/203211326.db2.gz KXTRASNIXGTSOQ-IBGZPJMESA-N 2 2 347.466 4.123 40 0 EIABLP Fc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2F)cc1 ZINC000043277665 563925477 /nfs/dbraw/zinc/92/54/77/563925477.db2.gz HAROJFDQANRUMW-UHFFFAOYSA-N 2 2 341.405 4.254 40 0 EIABLP Fc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2F)cc1 ZINC000043277665 563925479 /nfs/dbraw/zinc/92/54/79/563925479.db2.gz HAROJFDQANRUMW-UHFFFAOYSA-N 2 2 341.405 4.254 40 0 EIABLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4ccsc4)C3)C2)o1 ZINC000096046935 563978054 /nfs/dbraw/zinc/97/80/54/563978054.db2.gz PZQPKGSIKJNPQD-IBGZPJMESA-N 2 2 330.497 4.138 40 0 EIABLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccsc4)C3)C2)o1 ZINC000096046935 563978055 /nfs/dbraw/zinc/97/80/55/563978055.db2.gz PZQPKGSIKJNPQD-IBGZPJMESA-N 2 2 330.497 4.138 40 0 EIABLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccsc4)C3)C2)o1 ZINC000096046935 563978056 /nfs/dbraw/zinc/97/80/56/563978056.db2.gz PZQPKGSIKJNPQD-IBGZPJMESA-N 2 2 330.497 4.138 40 0 EIABLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccsc4)C3)C2)o1 ZINC000096046935 563978057 /nfs/dbraw/zinc/97/80/57/563978057.db2.gz PZQPKGSIKJNPQD-IBGZPJMESA-N 2 2 330.497 4.138 40 0 EIABLP COc1cccc2cc(C[NH+]3CCC([N@@H+]4CCC[C@@H](C)C4)CC3)oc21 ZINC000019496482 202008647 /nfs/dbraw/zinc/00/86/47/202008647.db2.gz CNXAZZWCLQSJSK-MRXNPFEDSA-N 2 2 342.483 4.138 40 0 EIABLP COc1cccc2cc(C[NH+]3CCC([N@H+]4CCC[C@@H](C)C4)CC3)oc21 ZINC000019496482 202008649 /nfs/dbraw/zinc/00/86/49/202008649.db2.gz CNXAZZWCLQSJSK-MRXNPFEDSA-N 2 2 342.483 4.138 40 0 EIABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072379090 203210987 /nfs/dbraw/zinc/21/09/87/203210987.db2.gz MHKUUTSFXGSQHI-IBGZPJMESA-N 2 2 346.478 4.209 40 0 EIABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000072379090 203210991 /nfs/dbraw/zinc/21/09/91/203210991.db2.gz MHKUUTSFXGSQHI-IBGZPJMESA-N 2 2 346.478 4.209 40 0 EIABLP COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4c[nH]c5ccccc45)C3)[nH+]c2c1 ZINC000049169096 204369829 /nfs/dbraw/zinc/36/98/29/204369829.db2.gz HXSMLQLGFTUNJW-AWEZNQCLSA-N 2 2 346.434 4.042 40 0 biogenic,in-vitro EIABLP COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4c[nH]c5ccccc45)C3)[nH+]c2c1 ZINC000049169096 204369833 /nfs/dbraw/zinc/36/98/33/204369833.db2.gz HXSMLQLGFTUNJW-AWEZNQCLSA-N 2 2 346.434 4.042 40 0 biogenic,in-vitro EIABLP C/C1=[NH+]/CCSCc2ccccc2CSCC[NH2+]C(C)(C)C1 ZINC000068604977 563963290 /nfs/dbraw/zinc/96/32/90/563963290.db2.gz CTYXFIPCLTVCHO-CYVLTUHYSA-N 2 2 336.570 4.386 40 0 EIABLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccsc1 ZINC000013991313 564020793 /nfs/dbraw/zinc/02/07/93/564020793.db2.gz TXUNPLVYHLKCJI-UHFFFAOYSA-N 2 2 329.444 4.176 40 0 EIABLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccsc1 ZINC000013991313 564020794 /nfs/dbraw/zinc/02/07/94/564020794.db2.gz TXUNPLVYHLKCJI-UHFFFAOYSA-N 2 2 329.444 4.176 40 0 EIABLP C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCC[N@@H+]2Cc1ccncc1 ZINC000019713449 564128110 /nfs/dbraw/zinc/12/81/10/564128110.db2.gz QGKBIIWLUISYBZ-VJBWXMMDSA-N 2 2 349.522 4.190 40 0 EIABLP C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCC[N@H+]2Cc1ccncc1 ZINC000019713449 564128111 /nfs/dbraw/zinc/12/81/11/564128111.db2.gz QGKBIIWLUISYBZ-VJBWXMMDSA-N 2 2 349.522 4.190 40 0 EIABLP Cc1[nH+]c([C@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)c2ccccn12 ZINC000019240678 202001270 /nfs/dbraw/zinc/00/12/70/202001270.db2.gz ZRNAUBCUAUPYAZ-INIZCTEOSA-N 2 2 341.405 4.301 40 0 EIABLP Cc1[nH+]c([C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)c2ccccn12 ZINC000019240678 202001274 /nfs/dbraw/zinc/00/12/74/202001274.db2.gz ZRNAUBCUAUPYAZ-INIZCTEOSA-N 2 2 341.405 4.301 40 0 EIABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cccs1 ZINC000012146991 563654613 /nfs/dbraw/zinc/65/46/13/563654613.db2.gz XQENCSZVYRIFLI-UHFFFAOYSA-N 2 2 341.480 4.046 40 0 EIABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccs1 ZINC000012146991 563654615 /nfs/dbraw/zinc/65/46/15/563654615.db2.gz XQENCSZVYRIFLI-UHFFFAOYSA-N 2 2 341.480 4.046 40 0 EIABLP Fc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(F)cc2)cc1 ZINC000079439288 563970976 /nfs/dbraw/zinc/97/09/76/563970976.db2.gz QTUZDQRFYDFJHL-BGYRXZFFSA-N 2 2 330.422 4.155 40 0 EIABLP c1cn(CC2CC2)c([C@@H]2C[N@H+](Cc3ccoc3)Cc3ccccc32)[nH+]1 ZINC000306129734 564062206 /nfs/dbraw/zinc/06/22/06/564062206.db2.gz ILHAYNHOHGJTTD-HXUWFJFHSA-N 2 2 333.435 4.034 40 0 EIABLP c1cn(CC2CC2)c([C@@H]2C[N@@H+](Cc3ccoc3)Cc3ccccc32)[nH+]1 ZINC000306129734 564062207 /nfs/dbraw/zinc/06/22/07/564062207.db2.gz ILHAYNHOHGJTTD-HXUWFJFHSA-N 2 2 333.435 4.034 40 0 EIABLP Cc1[nH+]c([C@@H]2CCC[N@H+](Cc3cccc(F)c3F)C2)c2ccccn12 ZINC000019240677 202000594 /nfs/dbraw/zinc/00/05/94/202000594.db2.gz ZRNAUBCUAUPYAZ-MRXNPFEDSA-N 2 2 341.405 4.301 40 0 EIABLP Cc1[nH+]c([C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)c2ccccn12 ZINC000019240677 202000596 /nfs/dbraw/zinc/00/05/96/202000596.db2.gz ZRNAUBCUAUPYAZ-MRXNPFEDSA-N 2 2 341.405 4.301 40 0 EIABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072378683 203210132 /nfs/dbraw/zinc/21/01/32/203210132.db2.gz IBZOFIFQLKWQNW-OAQYLSRUSA-N 2 2 346.478 4.345 40 0 EIABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000072378683 203210136 /nfs/dbraw/zinc/21/01/36/203210136.db2.gz IBZOFIFQLKWQNW-OAQYLSRUSA-N 2 2 346.478 4.345 40 0 EIABLP Cc1[nH+]cc(-c2cccc([C@H]3CCC[N@@H+](C4CCCCC4)C3)n2)n1C ZINC000257311647 564055237 /nfs/dbraw/zinc/05/52/37/564055237.db2.gz UKLMQPNTXIPJBL-KRWDZBQOSA-N 2 2 338.499 4.303 40 0 EIABLP Cc1[nH+]cc(-c2cccc([C@H]3CCC[N@H+](C4CCCCC4)C3)n2)n1C ZINC000257311647 564055238 /nfs/dbraw/zinc/05/52/38/564055238.db2.gz UKLMQPNTXIPJBL-KRWDZBQOSA-N 2 2 338.499 4.303 40 0 EIABLP Cc1[nH+]cc(-c2cc([C@@H]3CCC[N@@H+]3Cc3ccccc3)ccn2)n1C ZINC000257306758 564055162 /nfs/dbraw/zinc/05/51/62/564055162.db2.gz SVSOHKBQDHGNRY-FQEVSTJZSA-N 2 2 332.451 4.128 40 0 EIABLP Cc1[nH+]cc(-c2cc([C@@H]3CCC[N@H+]3Cc3ccccc3)ccn2)n1C ZINC000257306758 564055163 /nfs/dbraw/zinc/05/51/63/564055163.db2.gz SVSOHKBQDHGNRY-FQEVSTJZSA-N 2 2 332.451 4.128 40 0 EIABLP c1coc(C[N@@H+]2Cc3ccccc3[C@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000306142982 564062393 /nfs/dbraw/zinc/06/23/93/564062393.db2.gz XPSICGNPZHVJLL-HXUWFJFHSA-N 2 2 333.435 4.034 40 0 EIABLP c1coc(C[N@H+]2Cc3ccccc3[C@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000306142982 564062394 /nfs/dbraw/zinc/06/23/94/564062394.db2.gz XPSICGNPZHVJLL-HXUWFJFHSA-N 2 2 333.435 4.034 40 0 EIABLP C=C([NH2+]CCC[NH+](C)C)c1ccc(-c2cc(O)c3ncccc3c2)cc1 ZINC000584567154 564085901 /nfs/dbraw/zinc/08/59/01/564085901.db2.gz JIBPQZBRQXTUHR-UHFFFAOYSA-N 2 2 347.462 4.119 40 0 EIABLP C[NH+](C)CCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008373876 201746681 /nfs/dbraw/zinc/74/66/81/201746681.db2.gz HFNBDZWQDLEUDF-UHFFFAOYSA-N 2 2 327.255 4.295 40 0 EIABLP CCc1ccccc1Nc1[nH+]c([C@@H]2CCC[NH2+]C2)c2sccn12 ZINC000257267821 535964675 /nfs/dbraw/zinc/96/46/75/535964675.db2.gz MIXCZGUVQBEPSG-CQSZACIVSA-N 2 2 326.469 4.169 40 0 EIABLP Fc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccc(F)c2)cc1 ZINC000043277666 563925467 /nfs/dbraw/zinc/92/54/67/563925467.db2.gz OVBIMOVYHOMCDT-UHFFFAOYSA-N 2 2 341.405 4.254 40 0 EIABLP Fc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccc(F)c2)cc1 ZINC000043277666 563925469 /nfs/dbraw/zinc/92/54/69/563925469.db2.gz OVBIMOVYHOMCDT-UHFFFAOYSA-N 2 2 341.405 4.254 40 0 EIABLP CCc1[nH+]ccn1-c1cccc(C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000072378711 216180628 /nfs/dbraw/zinc/18/06/28/216180628.db2.gz QVEPNRHNASJIJF-UHFFFAOYSA-N 2 2 338.499 4.342 40 0 EIABLP c1cc2c(cccc2C[N@@H+]2CCC[C@H](c3cccc4[nH+]ccn43)C2)[nH]1 ZINC000585182555 563975107 /nfs/dbraw/zinc/97/51/07/563975107.db2.gz NZDLJHHBLWIFOV-KRWDZBQOSA-N 2 2 330.435 4.195 40 0 EIABLP c1cc2c(cccc2C[N@H+]2CCC[C@H](c3cccc4[nH+]ccn43)C2)[nH]1 ZINC000585182555 563975108 /nfs/dbraw/zinc/97/51/08/563975108.db2.gz NZDLJHHBLWIFOV-KRWDZBQOSA-N 2 2 330.435 4.195 40 0 EIABLP Cc1[nH+]cc(-c2cc([C@H]3CCC[N@@H+]3Cc3ccccc3)ccn2)n1C ZINC000257306759 564055126 /nfs/dbraw/zinc/05/51/26/564055126.db2.gz SVSOHKBQDHGNRY-HXUWFJFHSA-N 2 2 332.451 4.128 40 0 EIABLP Cc1[nH+]cc(-c2cc([C@H]3CCC[N@H+]3Cc3ccccc3)ccn2)n1C ZINC000257306759 564055127 /nfs/dbraw/zinc/05/51/27/564055127.db2.gz SVSOHKBQDHGNRY-HXUWFJFHSA-N 2 2 332.451 4.128 40 0 EIABLP c1cn(-c2cccc(C3CC[NH+](CCCc4ccccc4)CC3)n2)c[nH+]1 ZINC000072379113 216181933 /nfs/dbraw/zinc/18/19/33/216181933.db2.gz SZKQHVAOMYSFOK-UHFFFAOYSA-N 2 2 346.478 4.080 40 0 EIABLP Cc1sc2c(C3CC[NH2+]CC3)[nH+]c(Nc3cccc(F)c3)n2c1C ZINC000019561820 212043005 /nfs/dbraw/zinc/04/30/05/212043005.db2.gz JGOOBOPJDLTVRH-UHFFFAOYSA-N 2 2 344.459 4.362 40 0 EIABLP COc1cccc2cc(C[NH+]3CCC([NH+]4CCC(C)CC4)CC3)oc21 ZINC000019496847 212032526 /nfs/dbraw/zinc/03/25/26/212032526.db2.gz JCRXKQZEQJNEAD-UHFFFAOYSA-N 2 2 342.483 4.138 40 0 EIABLP C[NH+](C)CCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000008373881 563627863 /nfs/dbraw/zinc/62/78/63/563627863.db2.gz REGGAOJEQONVIJ-UHFFFAOYSA-N 2 2 327.255 4.295 40 0 EIABLP c1[nH+]c2n(c1-c1ccccc1)CCC21CC[NH+](Cc2ccccc2)CC1 ZINC000096263427 563980683 /nfs/dbraw/zinc/98/06/83/563980683.db2.gz LQCXLCJTQAICBY-UHFFFAOYSA-N 2 2 343.474 4.488 40 0 EIABLP CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072366752 216170985 /nfs/dbraw/zinc/17/09/85/216170985.db2.gz DYDNAWUCSGPAMS-LJQANCHMSA-N 2 2 348.450 4.003 40 0 EIABLP CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072366752 216170988 /nfs/dbraw/zinc/17/09/88/216170988.db2.gz DYDNAWUCSGPAMS-LJQANCHMSA-N 2 2 348.450 4.003 40 0 EIABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072379144 216180917 /nfs/dbraw/zinc/18/09/17/216180917.db2.gz DCPGEWMQOIZPSS-KRWDZBQOSA-N 2 2 338.499 4.342 40 0 EIABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000072379144 216180919 /nfs/dbraw/zinc/18/09/19/216180919.db2.gz DCPGEWMQOIZPSS-KRWDZBQOSA-N 2 2 338.499 4.342 40 0 EIABLP Fc1ccc(C[NH2+][C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(F)cc2)cc1 ZINC000079439293 217224987 /nfs/dbraw/zinc/22/49/87/217224987.db2.gz QTUZDQRFYDFJHL-PMACEKPBSA-N 2 2 330.422 4.155 40 0 EIABLP Fc1ccccc1C[NH+](CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000043277825 563925662 /nfs/dbraw/zinc/92/56/62/563925662.db2.gz XSAVQCYSKIRZPZ-UHFFFAOYSA-N 2 2 341.405 4.254 40 0 EIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(F)cc2F)o1 ZINC000036740256 213114771 /nfs/dbraw/zinc/11/47/71/213114771.db2.gz ZNABNNHXWKUZDO-UHFFFAOYSA-N 2 2 345.393 4.155 40 0 EIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(F)cc2F)o1 ZINC000036740256 213114774 /nfs/dbraw/zinc/11/47/74/213114774.db2.gz ZNABNNHXWKUZDO-UHFFFAOYSA-N 2 2 345.393 4.155 40 0 EIABLP c1cc2ccc(C[N@@H+]3CCC[C@H](c4cccc5[nH+]ccn54)C3)cc2[nH]1 ZINC000585182574 563975042 /nfs/dbraw/zinc/97/50/42/563975042.db2.gz UCWUNHNDSWOZEE-SFHVURJKSA-N 2 2 330.435 4.195 40 0 EIABLP c1cc2ccc(C[N@H+]3CCC[C@H](c4cccc5[nH+]ccn54)C3)cc2[nH]1 ZINC000585182574 563975043 /nfs/dbraw/zinc/97/50/43/563975043.db2.gz UCWUNHNDSWOZEE-SFHVURJKSA-N 2 2 330.435 4.195 40 0 EIABLP Cc1[nH+]c([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)c2ccccn12 ZINC000019240668 212008311 /nfs/dbraw/zinc/00/83/11/212008311.db2.gz NQECFMXEILSPFW-INIZCTEOSA-N 2 2 341.405 4.301 40 0 EIABLP Cc1[nH+]c([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)c2ccccn12 ZINC000019240668 212008313 /nfs/dbraw/zinc/00/83/13/212008313.db2.gz NQECFMXEILSPFW-INIZCTEOSA-N 2 2 341.405 4.301 40 0 EIABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@@H+]2Cc2ccc3ccccc3c2)n1 ZINC000257339261 564055731 /nfs/dbraw/zinc/05/57/31/564055731.db2.gz ZAYXQOHIFZMAJX-OAQYLSRUSA-N 2 2 346.478 4.029 40 0 EIABLP C[NH+](C)Cc1ccnc([C@H]2CCC[N@H+]2Cc2ccc3ccccc3c2)n1 ZINC000257339261 564055732 /nfs/dbraw/zinc/05/57/32/564055732.db2.gz ZAYXQOHIFZMAJX-OAQYLSRUSA-N 2 2 346.478 4.029 40 0 EIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccc(F)c2F)o1 ZINC000036740280 213114909 /nfs/dbraw/zinc/11/49/09/213114909.db2.gz BWYKSPDSILXZRE-UHFFFAOYSA-N 2 2 345.393 4.155 40 0 EIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccc(F)c2F)o1 ZINC000036740280 213114913 /nfs/dbraw/zinc/11/49/13/213114913.db2.gz BWYKSPDSILXZRE-UHFFFAOYSA-N 2 2 345.393 4.155 40 0 EIABLP c1cc2cc(C[N@@H+]3CCC[C@H]3c3cccc(-n4cc[nH+]c4)n3)ccc2[nH]1 ZINC000072355500 216163599 /nfs/dbraw/zinc/16/35/99/216163599.db2.gz FCDMQUZWUBPCCO-FQEVSTJZSA-N 2 2 343.434 4.086 40 0 EIABLP c1cc2cc(C[N@H+]3CCC[C@H]3c3cccc(-n4cc[nH+]c4)n3)ccc2[nH]1 ZINC000072355500 216163601 /nfs/dbraw/zinc/16/36/01/216163601.db2.gz FCDMQUZWUBPCCO-FQEVSTJZSA-N 2 2 343.434 4.086 40 0 EIABLP CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccco2)n1 ZINC000072366751 216171996 /nfs/dbraw/zinc/17/19/96/216171996.db2.gz MHQCXMYZJXQRCY-GOSISDBHSA-N 2 2 336.439 4.321 40 0 EIABLP CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccco2)n1 ZINC000072366751 216171998 /nfs/dbraw/zinc/17/19/98/216171998.db2.gz MHQCXMYZJXQRCY-GOSISDBHSA-N 2 2 336.439 4.321 40 0 EIABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)n1 ZINC000072379143 216180346 /nfs/dbraw/zinc/18/03/46/216180346.db2.gz DCPGEWMQOIZPSS-QGZVFWFLSA-N 2 2 338.499 4.342 40 0 EIABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000072379143 216180350 /nfs/dbraw/zinc/18/03/50/216180350.db2.gz DCPGEWMQOIZPSS-QGZVFWFLSA-N 2 2 338.499 4.342 40 0 EIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2c(F)cccc2F)o1 ZINC000036740257 213115052 /nfs/dbraw/zinc/11/50/52/213115052.db2.gz LBGADRCVVPRMNQ-UHFFFAOYSA-N 2 2 345.393 4.155 40 0 EIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2c(F)cccc2F)o1 ZINC000036740257 213115054 /nfs/dbraw/zinc/11/50/54/213115054.db2.gz LBGADRCVVPRMNQ-UHFFFAOYSA-N 2 2 345.393 4.155 40 0 EIABLP COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4cccc(Cl)c4)C3)[nH+]c2c1 ZINC000035446738 213028134 /nfs/dbraw/zinc/02/81/34/213028134.db2.gz BUAMBZAEJUGOAF-AWEZNQCLSA-N 2 2 341.842 4.214 40 0 biogenic,in-vitro EIABLP COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4cccc(Cl)c4)C3)[nH+]c2c1 ZINC000035446738 213028136 /nfs/dbraw/zinc/02/81/36/213028136.db2.gz BUAMBZAEJUGOAF-AWEZNQCLSA-N 2 2 341.842 4.214 40 0 biogenic,in-vitro EIABLP CC(C)(C)C1CCC2(CC1)CC[NH+](CCC[NH+]1CCOCC1)CC2 ZINC000001581170 563393945 /nfs/dbraw/zinc/39/39/45/563393945.db2.gz WWONWDKFZWLQQV-UHFFFAOYSA-N 2 2 336.564 4.027 40 0 in-vitro EIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(F)cc2)s1 ZINC000043277671 563925536 /nfs/dbraw/zinc/92/55/36/563925536.db2.gz KYSBWFVRQSQXQL-UHFFFAOYSA-N 2 2 343.471 4.485 40 0 EIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(F)cc2)s1 ZINC000043277671 563925537 /nfs/dbraw/zinc/92/55/37/563925537.db2.gz KYSBWFVRQSQXQL-UHFFFAOYSA-N 2 2 343.471 4.485 40 0 EIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2F)s1 ZINC000043277833 563925648 /nfs/dbraw/zinc/92/56/48/563925648.db2.gz VPZIUERSWBFOTC-UHFFFAOYSA-N 2 2 343.471 4.485 40 0 EIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2F)s1 ZINC000043277833 563925649 /nfs/dbraw/zinc/92/56/49/563925649.db2.gz VPZIUERSWBFOTC-UHFFFAOYSA-N 2 2 343.471 4.485 40 0 EIABLP C[NH+](C)CCC[N@H+](Cc1ccccn1)Cc1cccc2ccccc21 ZINC000013990718 564020810 /nfs/dbraw/zinc/02/08/10/564020810.db2.gz QKOVLBBQQSYJRQ-UHFFFAOYSA-N 2 2 333.479 4.189 40 0 EIABLP C[NH+](C)CCC[N@@H+](Cc1ccccn1)Cc1cccc2ccccc21 ZINC000013990718 564020811 /nfs/dbraw/zinc/02/08/11/564020811.db2.gz QKOVLBBQQSYJRQ-UHFFFAOYSA-N 2 2 333.479 4.189 40 0 EIABLP c1cc2cc(C[N@@H+]3CCC[C@@H]3c3cccc(-n4cc[nH+]c4)n3)ccc2[nH]1 ZINC000072355501 216163879 /nfs/dbraw/zinc/16/38/79/216163879.db2.gz FCDMQUZWUBPCCO-HXUWFJFHSA-N 2 2 343.434 4.086 40 0 EIABLP c1cc2cc(C[N@H+]3CCC[C@@H]3c3cccc(-n4cc[nH+]c4)n3)ccc2[nH]1 ZINC000072355501 216163882 /nfs/dbraw/zinc/16/38/82/216163882.db2.gz FCDMQUZWUBPCCO-HXUWFJFHSA-N 2 2 343.434 4.086 40 0 EIABLP CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000072379064 216180898 /nfs/dbraw/zinc/18/08/98/216180898.db2.gz KXTRASNIXGTSOQ-LJQANCHMSA-N 2 2 347.466 4.123 40 0 EIABLP CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072379064 216180902 /nfs/dbraw/zinc/18/09/02/216180902.db2.gz KXTRASNIXGTSOQ-LJQANCHMSA-N 2 2 347.466 4.123 40 0 EIABLP Fc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)cc2)cc1 ZINC000059201913 563947746 /nfs/dbraw/zinc/94/77/46/563947746.db2.gz QTUZDQRFYDFJHL-WOJBJXKFSA-N 2 2 330.422 4.155 40 0 EIABLP COc1ccc2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C3)ccc2c1 ZINC000023247703 212363441 /nfs/dbraw/zinc/36/34/41/212363441.db2.gz MQPVEGYTPAORFR-QFIPXVFZSA-N 2 2 346.474 4.213 40 0 EIABLP COc1ccc2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2c1 ZINC000023247703 212363444 /nfs/dbraw/zinc/36/34/44/212363444.db2.gz MQPVEGYTPAORFR-QFIPXVFZSA-N 2 2 346.474 4.213 40 0 EIABLP Cc1cc(Nc2nccs2)cc([C@H]2CCC[N@@H+](CC(C)C)C2)[nH+]1 ZINC000257257004 244285383 /nfs/dbraw/zinc/28/53/83/244285383.db2.gz KNRJJRMCNYBQEG-HNNXBMFYSA-N 2 2 330.501 4.426 40 0 EIABLP Cc1cc(Nc2nccs2)cc([C@H]2CCC[N@H+](CC(C)C)C2)[nH+]1 ZINC000257257004 244285386 /nfs/dbraw/zinc/28/53/86/244285386.db2.gz KNRJJRMCNYBQEG-HNNXBMFYSA-N 2 2 330.501 4.426 40 0 EIABLP c1coc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000072341589 563966400 /nfs/dbraw/zinc/96/64/00/563966400.db2.gz FCRZKCYWZIJWKU-XZOQPEGZSA-N 2 2 346.474 4.428 40 0 EIABLP c1coc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000072341589 563966401 /nfs/dbraw/zinc/96/64/01/563966401.db2.gz FCRZKCYWZIJWKU-XZOQPEGZSA-N 2 2 346.474 4.428 40 0 EIABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@@H+]2Cc2ccc3ccccc3c2)n1 ZINC000257339260 564055712 /nfs/dbraw/zinc/05/57/12/564055712.db2.gz ZAYXQOHIFZMAJX-NRFANRHFSA-N 2 2 346.478 4.029 40 0 EIABLP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@H+]2Cc2ccc3ccccc3c2)n1 ZINC000257339260 564055713 /nfs/dbraw/zinc/05/57/13/564055713.db2.gz ZAYXQOHIFZMAJX-NRFANRHFSA-N 2 2 346.478 4.029 40 0 EIABLP c1coc(C[N@@H+]2Cc3ccccc3[C@@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000306142981 564062399 /nfs/dbraw/zinc/06/23/99/564062399.db2.gz XPSICGNPZHVJLL-FQEVSTJZSA-N 2 2 333.435 4.034 40 0 EIABLP c1coc(C[N@H+]2Cc3ccccc3[C@@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000306142981 564062400 /nfs/dbraw/zinc/06/24/00/564062400.db2.gz XPSICGNPZHVJLL-FQEVSTJZSA-N 2 2 333.435 4.034 40 0 EIABLP C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCC[N@@H+]2Cc1cccnc1 ZINC000019713448 564128079 /nfs/dbraw/zinc/12/80/79/564128079.db2.gz ZBZRDHWQKAOLFV-VJBWXMMDSA-N 2 2 349.522 4.190 40 0 EIABLP C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCC[N@H+]2Cc1cccnc1 ZINC000019713448 564128080 /nfs/dbraw/zinc/12/80/80/564128080.db2.gz ZBZRDHWQKAOLFV-VJBWXMMDSA-N 2 2 349.522 4.190 40 0 EIABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072378656 216180724 /nfs/dbraw/zinc/18/07/24/216180724.db2.gz HZCMDRBWOWENGJ-LJQANCHMSA-N 2 2 336.414 4.052 40 0 EIABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000072378656 216180726 /nfs/dbraw/zinc/18/07/26/216180726.db2.gz HZCMDRBWOWENGJ-LJQANCHMSA-N 2 2 336.414 4.052 40 0 EIABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072378655 216182057 /nfs/dbraw/zinc/18/20/57/216182057.db2.gz HZCMDRBWOWENGJ-IBGZPJMESA-N 2 2 336.414 4.052 40 0 EIABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000072378655 216182059 /nfs/dbraw/zinc/18/20/59/216182059.db2.gz HZCMDRBWOWENGJ-IBGZPJMESA-N 2 2 336.414 4.052 40 0 EIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2F)o1 ZINC000036740243 213114237 /nfs/dbraw/zinc/11/42/37/213114237.db2.gz FBCNIGVIWDBPJH-UHFFFAOYSA-N 2 2 327.403 4.016 40 0 EIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2F)o1 ZINC000036740243 213114240 /nfs/dbraw/zinc/11/42/40/213114240.db2.gz FBCNIGVIWDBPJH-UHFFFAOYSA-N 2 2 327.403 4.016 40 0 EIABLP Cc1ccc(C[N@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000013992679 211666895 /nfs/dbraw/zinc/66/68/95/211666895.db2.gz ORCKLKXDJAWLIZ-UHFFFAOYSA-N 2 2 341.499 4.294 40 0 EIABLP Cc1ccc(C[N@@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000013992679 211666897 /nfs/dbraw/zinc/66/68/97/211666897.db2.gz ORCKLKXDJAWLIZ-UHFFFAOYSA-N 2 2 341.499 4.294 40 0 EIABLP CC1(C)CC([N@H+](Cc2ccccc2)Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000013992617 564087276 /nfs/dbraw/zinc/08/72/76/564087276.db2.gz VFVVEDXWANASAZ-UHFFFAOYSA-N 2 2 337.511 4.393 40 0 EIABLP CC1(C)CC([N@@H+](Cc2ccccc2)Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000013992617 564087277 /nfs/dbraw/zinc/08/72/77/564087277.db2.gz VFVVEDXWANASAZ-UHFFFAOYSA-N 2 2 337.511 4.393 40 0 EIABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000072379089 216181560 /nfs/dbraw/zinc/18/15/60/216181560.db2.gz MHKUUTSFXGSQHI-LJQANCHMSA-N 2 2 346.478 4.209 40 0 EIABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000072379089 216181563 /nfs/dbraw/zinc/18/15/63/216181563.db2.gz MHKUUTSFXGSQHI-LJQANCHMSA-N 2 2 346.478 4.209 40 0 EIABLP Cc1[nH+]c([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)c2ccccn12 ZINC000019240667 212008711 /nfs/dbraw/zinc/00/87/11/212008711.db2.gz NQECFMXEILSPFW-MRXNPFEDSA-N 2 2 341.405 4.301 40 0 EIABLP Cc1[nH+]c([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)c2ccccn12 ZINC000019240667 212008707 /nfs/dbraw/zinc/00/87/07/212008707.db2.gz NQECFMXEILSPFW-MRXNPFEDSA-N 2 2 341.405 4.301 40 0 EIABLP CCc1c2c(c(C=[NH2+])c3[n+]1C(=O)C(c1ccccc1)S3)CCCC2 ZINC000019074799 564136434 /nfs/dbraw/zinc/13/64/34/564136434.db2.gz NNBIJDHIMOTXLT-UHFFFAOYSA-O 2 2 337.468 4.298 40 0 EIABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000072359236 216166230 /nfs/dbraw/zinc/16/62/30/216166230.db2.gz VOXYOIKNUCFHLE-GOSISDBHSA-N 2 2 347.466 4.123 40 0 EIABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072359236 216166232 /nfs/dbraw/zinc/16/62/32/216166232.db2.gz VOXYOIKNUCFHLE-GOSISDBHSA-N 2 2 347.466 4.123 40 0 EIABLP CCc1[nH+]ccn1-c1cccc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000072378659 216182019 /nfs/dbraw/zinc/18/20/19/216182019.db2.gz IWCMDPASMGBAMY-UHFFFAOYSA-N 2 2 346.478 4.209 40 0 EIABLP COc1cccc2cc(C[NH+]3CCC([N@@H+]4CCC[C@H](C)C4)CC3)oc21 ZINC000019496483 212032406 /nfs/dbraw/zinc/03/24/06/212032406.db2.gz CNXAZZWCLQSJSK-INIZCTEOSA-N 2 2 342.483 4.138 40 0 EIABLP COc1cccc2cc(C[NH+]3CCC([N@H+]4CCC[C@H](C)C4)CC3)oc21 ZINC000019496483 212032408 /nfs/dbraw/zinc/03/24/08/212032408.db2.gz CNXAZZWCLQSJSK-INIZCTEOSA-N 2 2 342.483 4.138 40 0 EIABLP Cc1cc(NCC[NH3+])c2c(Cl)ccc(Oc3ccccc3)c2[nH+]1 ZINC000222692680 564037504 /nfs/dbraw/zinc/03/75/04/564037504.db2.gz SYZZTDGGQMYQKN-UHFFFAOYSA-N 2 2 327.815 4.360 40 0 EIABLP Cc1ncsc1C[NH+]1CCC(C)(c2[nH+]c(C)n3ccsc23)CC1 ZINC000257301327 564055109 /nfs/dbraw/zinc/05/51/09/564055109.db2.gz RXYWPFMJJRLVEJ-UHFFFAOYSA-N 2 2 346.525 4.023 40 0 EIABLP c1coc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000248085371 564124535 /nfs/dbraw/zinc/12/45/35/564124535.db2.gz FCRZKCYWZIJWKU-PKTZIBPZSA-N 2 2 346.474 4.428 40 0 EIABLP c1coc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000248085371 564124536 /nfs/dbraw/zinc/12/45/36/564124536.db2.gz FCRZKCYWZIJWKU-PKTZIBPZSA-N 2 2 346.474 4.428 40 0 EIABLP Cc1sc2c(C3CC[NH+](Cc4ccncc4)CC3)[nH+]c(C)n2c1C ZINC000072351261 216161886 /nfs/dbraw/zinc/16/18/86/216161886.db2.gz OOLJHKRKEPGDKA-UHFFFAOYSA-N 2 2 340.496 4.096 40 0 EIABLP CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072366753 216172090 /nfs/dbraw/zinc/17/20/90/216172090.db2.gz DYDNAWUCSGPAMS-IBGZPJMESA-N 2 2 348.450 4.003 40 0 EIABLP CCOc1ccccc1C[N@H+]1CCC[C@H]1c1cccc(-n2cc[nH+]c2)n1 ZINC000072366753 216172092 /nfs/dbraw/zinc/17/20/92/216172092.db2.gz DYDNAWUCSGPAMS-IBGZPJMESA-N 2 2 348.450 4.003 40 0 EIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccc(O)c2)s1 ZINC000012116698 211296494 /nfs/dbraw/zinc/29/64/94/211296494.db2.gz YLQWYNUXZHDUIU-UHFFFAOYSA-N 2 2 341.480 4.051 40 0 EIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccc(O)c2)s1 ZINC000012116698 211296497 /nfs/dbraw/zinc/29/64/97/211296497.db2.gz YLQWYNUXZHDUIU-UHFFFAOYSA-N 2 2 341.480 4.051 40 0 EIABLP CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccco2)n1 ZINC000072366750 216171909 /nfs/dbraw/zinc/17/19/09/216171909.db2.gz MHQCXMYZJXQRCY-SFHVURJKSA-N 2 2 336.439 4.321 40 0 EIABLP CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccco2)n1 ZINC000072366750 216171912 /nfs/dbraw/zinc/17/19/12/216171912.db2.gz MHQCXMYZJXQRCY-SFHVURJKSA-N 2 2 336.439 4.321 40 0 EIABLP CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072378666 216181269 /nfs/dbraw/zinc/18/12/69/216181269.db2.gz BIZHFRNUWHXQEJ-IBGZPJMESA-N 2 2 347.466 4.123 40 0 EIABLP CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072378666 216181273 /nfs/dbraw/zinc/18/12/73/216181273.db2.gz BIZHFRNUWHXQEJ-IBGZPJMESA-N 2 2 347.466 4.123 40 0 EIABLP COc1ccc2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc2c1 ZINC000023247702 212363228 /nfs/dbraw/zinc/36/32/28/212363228.db2.gz MQPVEGYTPAORFR-JOCHJYFZSA-N 2 2 346.474 4.213 40 0 EIABLP COc1ccc2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2c1 ZINC000023247702 212363231 /nfs/dbraw/zinc/36/32/31/212363231.db2.gz MQPVEGYTPAORFR-JOCHJYFZSA-N 2 2 346.474 4.213 40 0 EIABLP c1cn(-c2cccc([C@@H]3CCC[N@@H+](CCCc4ccccc4)C3)n2)c[nH+]1 ZINC000072378672 216182032 /nfs/dbraw/zinc/18/20/32/216182032.db2.gz WSUOYKBKUOEHKM-HXUWFJFHSA-N 2 2 346.478 4.080 40 0 EIABLP c1cn(-c2cccc([C@@H]3CCC[N@H+](CCCc4ccccc4)C3)n2)c[nH+]1 ZINC000072378672 216182035 /nfs/dbraw/zinc/18/20/35/216182035.db2.gz WSUOYKBKUOEHKM-HXUWFJFHSA-N 2 2 346.478 4.080 40 0 EIABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072379083 216180708 /nfs/dbraw/zinc/18/07/08/216180708.db2.gz WCRMGQMGHXLGKM-IBGZPJMESA-N 2 2 332.451 4.167 40 0 EIABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072379083 216180709 /nfs/dbraw/zinc/18/07/09/216180709.db2.gz WCRMGQMGHXLGKM-IBGZPJMESA-N 2 2 332.451 4.167 40 0 EIABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072379084 216180853 /nfs/dbraw/zinc/18/08/53/216180853.db2.gz WCRMGQMGHXLGKM-LJQANCHMSA-N 2 2 332.451 4.167 40 0 EIABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072379084 216180856 /nfs/dbraw/zinc/18/08/56/216180856.db2.gz WCRMGQMGHXLGKM-LJQANCHMSA-N 2 2 332.451 4.167 40 0 EIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccsc2)s1 ZINC000013991334 564020834 /nfs/dbraw/zinc/02/08/34/564020834.db2.gz YAAVWYXYNNLAHD-UHFFFAOYSA-N 2 2 331.510 4.407 40 0 EIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccsc2)s1 ZINC000013991334 564020835 /nfs/dbraw/zinc/02/08/35/564020835.db2.gz YAAVWYXYNNLAHD-UHFFFAOYSA-N 2 2 331.510 4.407 40 0 EIABLP CC1(C)CC([N@H+](Cc2ccsc2)Cc2cccnc2)CC(C)(C)[NH2+]1 ZINC000036740529 213115092 /nfs/dbraw/zinc/11/50/92/213115092.db2.gz BJERVKKZVKECNM-UHFFFAOYSA-N 2 2 343.540 4.455 40 0 EIABLP CC1(C)CC([N@@H+](Cc2ccsc2)Cc2cccnc2)CC(C)(C)[NH2+]1 ZINC000036740529 213115094 /nfs/dbraw/zinc/11/50/94/213115094.db2.gz BJERVKKZVKECNM-UHFFFAOYSA-N 2 2 343.540 4.455 40 0 EIABLP Cc1sc2c([C@@H]3CCC[NH2+]C3)[nH+]c(Nc3cccc(F)c3)n2c1C ZINC000019561743 212043016 /nfs/dbraw/zinc/04/30/16/212043016.db2.gz BBQWXQGGRKDBTF-CYBMUJFWSA-N 2 2 344.459 4.362 40 0 EIABLP C[NH+](C)CCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000008373875 563627907 /nfs/dbraw/zinc/62/79/07/563627907.db2.gz VFDPAMVGDFTIMX-UHFFFAOYSA-N 2 2 327.255 4.295 40 0 EIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(O)cc2)s1 ZINC000043277867 563925622 /nfs/dbraw/zinc/92/56/22/563925622.db2.gz SXKILRZKNQXJBY-UHFFFAOYSA-N 2 2 341.480 4.051 40 0 EIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(O)cc2)s1 ZINC000043277867 563925623 /nfs/dbraw/zinc/92/56/23/563925623.db2.gz SXKILRZKNQXJBY-UHFFFAOYSA-N 2 2 341.480 4.051 40 0 EIABLP Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc(C)n2)C3)c1 ZINC000096216235 563980366 /nfs/dbraw/zinc/98/03/66/563980366.db2.gz YFFCSAQDPLDPHC-HSZRJFAPSA-N 2 2 349.522 4.187 40 0 EIABLP Cc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2cccc(C)n2)C3)c1 ZINC000096216235 563980367 /nfs/dbraw/zinc/98/03/67/563980367.db2.gz YFFCSAQDPLDPHC-HSZRJFAPSA-N 2 2 349.522 4.187 40 0 EIABLP Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)n2)C3)c1 ZINC000096216235 563980368 /nfs/dbraw/zinc/98/03/68/563980368.db2.gz YFFCSAQDPLDPHC-HSZRJFAPSA-N 2 2 349.522 4.187 40 0 EIABLP Cc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(C)n2)C3)c1 ZINC000096216235 563980369 /nfs/dbraw/zinc/98/03/69/563980369.db2.gz YFFCSAQDPLDPHC-HSZRJFAPSA-N 2 2 349.522 4.187 40 0 EIABLP Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCC[N@H+](CC4CC4)C3)c2)n1 ZINC000257289445 564054819 /nfs/dbraw/zinc/05/48/19/564054819.db2.gz PYQFRBGQRXZTLM-INIZCTEOSA-N 2 2 342.512 4.488 40 0 EIABLP Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCC[N@@H+](CC4CC4)C3)c2)n1 ZINC000257289445 564054820 /nfs/dbraw/zinc/05/48/20/564054820.db2.gz PYQFRBGQRXZTLM-INIZCTEOSA-N 2 2 342.512 4.488 40 0 EIABLP c1coc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000248085365 564124540 /nfs/dbraw/zinc/12/45/40/564124540.db2.gz FCRZKCYWZIJWKU-DHIUTWEWSA-N 2 2 346.474 4.428 40 0 EIABLP c1coc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000248085365 564124541 /nfs/dbraw/zinc/12/45/41/564124541.db2.gz FCRZKCYWZIJWKU-DHIUTWEWSA-N 2 2 346.474 4.428 40 0 EIABLP C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCC[N@@H+]2Cc1ccccn1 ZINC000019713447 564128103 /nfs/dbraw/zinc/12/81/03/564128103.db2.gz HIACQHDMUKNSLY-VJBWXMMDSA-N 2 2 349.522 4.190 40 0 EIABLP C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCC[N@H+]2Cc1ccccn1 ZINC000019713447 564128104 /nfs/dbraw/zinc/12/81/04/564128104.db2.gz HIACQHDMUKNSLY-VJBWXMMDSA-N 2 2 349.522 4.190 40 0 EIABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccsc1 ZINC000036740316 213114372 /nfs/dbraw/zinc/11/43/72/213114372.db2.gz XJIWOCXNRSVTTN-UHFFFAOYSA-N 2 2 341.480 4.046 40 0 EIABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccsc1 ZINC000036740316 213114373 /nfs/dbraw/zinc/11/43/73/213114373.db2.gz XJIWOCXNRSVTTN-UHFFFAOYSA-N 2 2 341.480 4.046 40 0 EIABLP COc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1CC[NH3+] ZINC000001724558 563407274 /nfs/dbraw/zinc/40/72/74/563407274.db2.gz CLSPQKAUIFQAIM-UHFFFAOYSA-N 2 2 327.815 4.142 40 0 EIABLP CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2OC)CC1 ZINC000054992156 214263374 /nfs/dbraw/zinc/26/33/74/214263374.db2.gz MOJFAABJODCYDA-UHFFFAOYSA-N 2 2 338.495 4.182 40 0 EIABLP CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2ccccc2OC)CC1 ZINC000054992156 214263377 /nfs/dbraw/zinc/26/33/77/214263377.db2.gz MOJFAABJODCYDA-UHFFFAOYSA-N 2 2 338.495 4.182 40 0 EIABLP CC1(C)CC([N@@H+](Cc2ccsc2)Cc2ccncc2)CC(C)(C)[NH2+]1 ZINC000036740549 213115797 /nfs/dbraw/zinc/11/57/97/213115797.db2.gz HPHTWMLTHKHJOM-UHFFFAOYSA-N 2 2 343.540 4.455 40 0 EIABLP CC1(C)CC([N@H+](Cc2ccsc2)Cc2ccncc2)CC(C)(C)[NH2+]1 ZINC000036740549 213115795 /nfs/dbraw/zinc/11/57/95/213115795.db2.gz HPHTWMLTHKHJOM-UHFFFAOYSA-N 2 2 343.540 4.455 40 0 EIABLP CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccoc2)n1 ZINC000072366760 216171972 /nfs/dbraw/zinc/17/19/72/216171972.db2.gz HYUREVAIHVIYQT-SFHVURJKSA-N 2 2 336.439 4.321 40 0 EIABLP CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccoc2)n1 ZINC000072366760 216171974 /nfs/dbraw/zinc/17/19/74/216171974.db2.gz HYUREVAIHVIYQT-SFHVURJKSA-N 2 2 336.439 4.321 40 0 EIABLP CCc1ccccc1Nc1[nH+]c([C@H]2CCC[NH2+]C2)c2sccn12 ZINC000257267820 535964305 /nfs/dbraw/zinc/96/43/05/535964305.db2.gz MIXCZGUVQBEPSG-AWEZNQCLSA-N 2 2 326.469 4.169 40 0 EIABLP Cc1[nH+]cc(-c2cccc([C@@H]3CCC[N@@H+](C4CCCCC4)C3)n2)n1C ZINC000257311648 564055257 /nfs/dbraw/zinc/05/52/57/564055257.db2.gz UKLMQPNTXIPJBL-QGZVFWFLSA-N 2 2 338.499 4.303 40 0 EIABLP Cc1[nH+]cc(-c2cccc([C@@H]3CCC[N@H+](C4CCCCC4)C3)n2)n1C ZINC000257311648 564055258 /nfs/dbraw/zinc/05/52/58/564055258.db2.gz UKLMQPNTXIPJBL-QGZVFWFLSA-N 2 2 338.499 4.303 40 0 EIABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000072355670 216163450 /nfs/dbraw/zinc/16/34/50/216163450.db2.gz QGPJMLWNUZSLMO-KRWDZBQOSA-N 2 2 338.480 4.228 40 0 EIABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000072355670 216163460 /nfs/dbraw/zinc/16/34/60/216163460.db2.gz QGPJMLWNUZSLMO-KRWDZBQOSA-N 2 2 338.480 4.228 40 0 EIABLP Fc1cccc([C@@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCCCC[NH2+][C@@H]23)c1 ZINC000095951724 563977854 /nfs/dbraw/zinc/97/78/54/563977854.db2.gz QYXPFZBNKAUIMI-BDTNDASRSA-N 2 2 338.470 4.326 40 0 EIABLP Fc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCCCC[NH2+][C@@H]23)c1 ZINC000095951724 563977855 /nfs/dbraw/zinc/97/78/55/563977855.db2.gz QYXPFZBNKAUIMI-BDTNDASRSA-N 2 2 338.470 4.326 40 0 EIABLP CC[NH+]1CCC([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000012569443 564059872 /nfs/dbraw/zinc/05/98/72/564059872.db2.gz IKPVMMSAJHBNQW-UHFFFAOYSA-N 2 2 341.480 4.130 40 0 EIABLP c1cn(CC2CC2)c([C@H]2C[N@H+](Cc3ccoc3)Cc3ccccc32)[nH+]1 ZINC000306129733 564062159 /nfs/dbraw/zinc/06/21/59/564062159.db2.gz ILHAYNHOHGJTTD-FQEVSTJZSA-N 2 2 333.435 4.034 40 0 EIABLP c1cn(CC2CC2)c([C@H]2C[N@@H+](Cc3ccoc3)Cc3ccccc32)[nH+]1 ZINC000306129733 564062160 /nfs/dbraw/zinc/06/21/60/564062160.db2.gz ILHAYNHOHGJTTD-FQEVSTJZSA-N 2 2 333.435 4.034 40 0 EIABLP CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccoc2)n1 ZINC000072366761 216171626 /nfs/dbraw/zinc/17/16/26/216171626.db2.gz HYUREVAIHVIYQT-GOSISDBHSA-N 2 2 336.439 4.321 40 0 EIABLP CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccoc2)n1 ZINC000072366761 216171629 /nfs/dbraw/zinc/17/16/29/216171629.db2.gz HYUREVAIHVIYQT-GOSISDBHSA-N 2 2 336.439 4.321 40 0 EIABLP CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072378667 216180757 /nfs/dbraw/zinc/18/07/57/216180757.db2.gz BIZHFRNUWHXQEJ-LJQANCHMSA-N 2 2 347.466 4.123 40 0 EIABLP CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072378667 216180760 /nfs/dbraw/zinc/18/07/60/216180760.db2.gz BIZHFRNUWHXQEJ-LJQANCHMSA-N 2 2 347.466 4.123 40 0 EIABLP C[NH+](C)CCCNc1nc(Nc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000243416931 243023790 /nfs/dbraw/zinc/02/37/90/243023790.db2.gz MRKHQRMRGMGZLH-UHFFFAOYSA-N 2 2 347.466 4.251 40 0 EIABLP Cc1c2ccccc2[nH]c1C[NH+]1CCC([NH+]2CCC(C)CC2)CC1 ZINC000019565900 212044559 /nfs/dbraw/zinc/04/45/59/212044559.db2.gz TWEAGMRMAACABU-UHFFFAOYSA-N 2 2 325.500 4.173 40 0 EIABLP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C(C)(C)C[NH2+]C(C)C)cc1 ZINC000019363887 212021547 /nfs/dbraw/zinc/02/15/47/212021547.db2.gz WBKSWCGABCSIOB-OAQYLSRUSA-N 2 2 340.511 4.345 40 0 EIABLP Cc1nc[nH]c1C[N@H+](Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012143710 211304634 /nfs/dbraw/zinc/30/46/34/211304634.db2.gz IYADCZPKZDLXEF-UHFFFAOYSA-N 2 2 340.515 4.030 40 0 EIABLP Cc1nc[nH]c1C[N@@H+](Cc1ccccc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012143710 211304636 /nfs/dbraw/zinc/30/46/36/211304636.db2.gz IYADCZPKZDLXEF-UHFFFAOYSA-N 2 2 340.515 4.030 40 0 EIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(C)s2)o1 ZINC000043277750 563925674 /nfs/dbraw/zinc/92/56/74/563925674.db2.gz ZBBMEEXWDHFPMZ-UHFFFAOYSA-N 2 2 329.469 4.247 40 0 EIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(C)s2)o1 ZINC000043277750 563925675 /nfs/dbraw/zinc/92/56/75/563925675.db2.gz ZBBMEEXWDHFPMZ-UHFFFAOYSA-N 2 2 329.469 4.247 40 0 EIABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccsc2)n1 ZINC000072355671 216164033 /nfs/dbraw/zinc/16/40/33/216164033.db2.gz QGPJMLWNUZSLMO-QGZVFWFLSA-N 2 2 338.480 4.228 40 0 EIABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2Cc2ccsc2)n1 ZINC000072355671 216164037 /nfs/dbraw/zinc/16/40/37/216164037.db2.gz QGPJMLWNUZSLMO-QGZVFWFLSA-N 2 2 338.480 4.228 40 0 EIABLP COc1ccc([C@H](Cc2ccccc2)[NH2+]C(C)(C)C[NH2+]C(C)C)cc1 ZINC000019365961 212022120 /nfs/dbraw/zinc/02/21/20/212022120.db2.gz WBKSWCGABCSIOB-NRFANRHFSA-N 2 2 340.511 4.345 40 0 EIABLP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc(C)n2)C3)c1 ZINC000096216231 563980378 /nfs/dbraw/zinc/98/03/78/563980378.db2.gz YFFCSAQDPLDPHC-QHCPKHFHSA-N 2 2 349.522 4.187 40 0 EIABLP Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cccc(C)n2)C3)c1 ZINC000096216231 563980379 /nfs/dbraw/zinc/98/03/79/563980379.db2.gz YFFCSAQDPLDPHC-QHCPKHFHSA-N 2 2 349.522 4.187 40 0 EIABLP Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)n2)C3)c1 ZINC000096216231 563980380 /nfs/dbraw/zinc/98/03/80/563980380.db2.gz YFFCSAQDPLDPHC-QHCPKHFHSA-N 2 2 349.522 4.187 40 0 EIABLP Cc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(C)n2)C3)c1 ZINC000096216231 563980381 /nfs/dbraw/zinc/98/03/81/563980381.db2.gz YFFCSAQDPLDPHC-QHCPKHFHSA-N 2 2 349.522 4.187 40 0 EIABLP c1cn(-c2cccc([C@H]3CCC[N@@H+](CCCc4ccccc4)C3)n2)c[nH+]1 ZINC000072378671 216181412 /nfs/dbraw/zinc/18/14/12/216181412.db2.gz WSUOYKBKUOEHKM-FQEVSTJZSA-N 2 2 346.478 4.080 40 0 EIABLP c1cn(-c2cccc([C@H]3CCC[N@H+](CCCc4ccccc4)C3)n2)c[nH+]1 ZINC000072378671 216181415 /nfs/dbraw/zinc/18/14/15/216181415.db2.gz WSUOYKBKUOEHKM-FQEVSTJZSA-N 2 2 346.478 4.080 40 0 EIABLP c1coc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000072341588 563966387 /nfs/dbraw/zinc/96/63/87/563966387.db2.gz FCRZKCYWZIJWKU-GOTSBHOMSA-N 2 2 346.474 4.428 40 0 EIABLP c1coc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000072341588 563966388 /nfs/dbraw/zinc/96/63/88/563966388.db2.gz FCRZKCYWZIJWKU-GOTSBHOMSA-N 2 2 346.474 4.428 40 0 EIABLP c1cc2ccc(C[NH+]3CCC(c4cccc5[nH+]ccn54)CC3)cc2[nH]1 ZINC000585182559 563975101 /nfs/dbraw/zinc/97/51/01/563975101.db2.gz QLOWKAWBOCAMKE-UHFFFAOYSA-N 2 2 330.435 4.195 40 0 EIABLP c1cc2c(cccc2C[N@@H+]2CCC[C@@H](c3cccc4[nH+]ccn43)C2)[nH]1 ZINC000585182556 563975113 /nfs/dbraw/zinc/97/51/13/563975113.db2.gz NZDLJHHBLWIFOV-QGZVFWFLSA-N 2 2 330.435 4.195 40 0 EIABLP c1cc2c(cccc2C[N@H+]2CCC[C@@H](c3cccc4[nH+]ccn43)C2)[nH]1 ZINC000585182556 563975114 /nfs/dbraw/zinc/97/51/14/563975114.db2.gz NZDLJHHBLWIFOV-QGZVFWFLSA-N 2 2 330.435 4.195 40 0 EIABLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccsc4)C3)C2)o1 ZINC000096046936 563978038 /nfs/dbraw/zinc/97/80/38/563978038.db2.gz PZQPKGSIKJNPQD-LJQANCHMSA-N 2 2 330.497 4.138 40 0 EIABLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccsc4)C3)C2)o1 ZINC000096046936 563978039 /nfs/dbraw/zinc/97/80/39/563978039.db2.gz PZQPKGSIKJNPQD-LJQANCHMSA-N 2 2 330.497 4.138 40 0 EIABLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2)o1 ZINC000096046936 563978040 /nfs/dbraw/zinc/97/80/40/563978040.db2.gz PZQPKGSIKJNPQD-LJQANCHMSA-N 2 2 330.497 4.138 40 0 EIABLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccsc4)C3)C2)o1 ZINC000096046936 563978041 /nfs/dbraw/zinc/97/80/41/563978041.db2.gz PZQPKGSIKJNPQD-LJQANCHMSA-N 2 2 330.497 4.138 40 0 EIABLP