smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c2[nH+]c(C)cc(Nc3ccc(F)cc3)c2c1 ZINC000000072002 567907525 /nfs/dbraw/zinc/90/75/25/567907525.db2.gz HALGBHPLDCJOBR-UHFFFAOYSA-N 1 0 280.346 5.043 50 0 CKAARO Cc1ccc2[nH+]c(C)cc(Nc3cccc(Cl)c3C)c2c1 ZINC000000077018 567907516 /nfs/dbraw/zinc/90/75/16/567907516.db2.gz OZNHWVNFKJECRK-UHFFFAOYSA-N 1 0 296.801 5.557 50 0 CKAARO Cc1ccc2[nH+]c(C)cc(Nc3ccc(C)c(C)c3)c2c1 ZINC000000077035 567907507 /nfs/dbraw/zinc/90/75/07/567907507.db2.gz MLPQCJMRLGWUIY-UHFFFAOYSA-N 1 0 276.383 5.212 50 0 CKAARO Cc1cc(Nc2ccc(C)c(Cl)c2)c2cccc(C)c2[nH+]1 ZINC000000112317 567923156 /nfs/dbraw/zinc/92/31/56/567923156.db2.gz XANGVTMWWSQMBG-UHFFFAOYSA-N 1 0 296.801 5.557 50 0 CKAARO Cc1cc(Nc2cccc(Cl)c2C)c2cccc(C)c2[nH+]1 ZINC000000112321 567923329 /nfs/dbraw/zinc/92/33/29/567923329.db2.gz KQBNFKSTWPESER-UHFFFAOYSA-N 1 0 296.801 5.557 50 0 CKAARO Cc1cc(Nc2cccc(Cl)c2)c2cccc(C)c2[nH+]1 ZINC000000112324 567923247 /nfs/dbraw/zinc/92/32/47/567923247.db2.gz FWPHDTGIMDSSFT-UHFFFAOYSA-N 1 0 282.774 5.249 50 0 CKAARO Cc1cc(Nc2ccc(Cl)cc2)c2cccc(C)c2[nH+]1 ZINC000000112329 567818614 /nfs/dbraw/zinc/81/86/14/567818614.db2.gz JLLBMUMIKLFEPN-UHFFFAOYSA-N 1 0 282.774 5.249 50 0 CKAARO Clc1cccc(Nc2c3c([nH+]c4ccccc42)CCC3)c1 ZINC000000122821 169544087 /nfs/dbraw/zinc/54/40/87/169544087.db2.gz VPKVFHNOGYCRRP-UHFFFAOYSA-N 1 0 294.785 5.121 50 0 CKAARO Clc1ccc(Nc2c3c([nH+]c4ccccc42)CCC3)cc1 ZINC000000122825 169543861 /nfs/dbraw/zinc/54/38/61/169543861.db2.gz XFFZPLGHMCNYGF-UHFFFAOYSA-N 1 0 294.785 5.121 50 0 CKAARO Cc1ccc(Nc2cc(C)[nH+]c3c(C)c(C)ccc23)cc1 ZINC000000183378 567924837 /nfs/dbraw/zinc/92/48/37/567924837.db2.gz NZKHUFWSZQZMEE-UHFFFAOYSA-N 1 0 276.383 5.212 50 0 CKAARO CC[n+]1c(/C=C2/C=C(C)CC(C)(C)C2)sc2ccccc21 ZINC000000241924 567887231 /nfs/dbraw/zinc/88/72/31/567887231.db2.gz HASRMKAJHCVHOP-PTNGSMBKSA-N 1 0 298.475 5.358 50 0 CKAARO Cc1cc(Nc2ccccc2Cl)c2cccc(C)c2[nH+]1 ZINC000000256329 567823234 /nfs/dbraw/zinc/82/32/34/567823234.db2.gz IYOYYTXNEAMCPX-UHFFFAOYSA-N 1 0 282.774 5.249 50 0 CKAARO Cc1cc(Nc2cc(Cl)ccc2C)c2ccccc2[nH+]1 ZINC000000256336 567823205 /nfs/dbraw/zinc/82/32/05/567823205.db2.gz UEOXFXNTDHEISI-UHFFFAOYSA-N 1 0 282.774 5.249 50 0 CKAARO Cc1ccc(CCSc2cc(Cl)ccc2Cl)cn1 ZINC000000284472 567926045 /nfs/dbraw/zinc/92/60/45/567926045.db2.gz ZIZCGEVUJWSAOR-UHFFFAOYSA-N 1 0 298.238 5.032 50 0 CKAARO CC[n+]1c(/C=C2/C=C(C)C[C@H](C)C2)sc2ccc(C)cc21 ZINC000000294969 567887414 /nfs/dbraw/zinc/88/74/14/567887414.db2.gz NYFYFAOCJXGITM-JORMNFRLSA-N 1 0 298.475 5.277 50 0 CKAARO CC[n+]1c(/C=C2/C=C(C)C[C@@H](C)C2)sc2ccc(C)cc21 ZINC000000294972 567887263 /nfs/dbraw/zinc/88/72/63/567887263.db2.gz NYFYFAOCJXGITM-WMJYUBJYSA-N 1 0 298.475 5.277 50 0 CKAARO CC(C)CC[C@H]([NH+](C)C)C1(c2ccc(Cl)cc2)CCC1 ZINC000000346572 567927025 /nfs/dbraw/zinc/92/70/25/567927025.db2.gz ACYNEJXDDCLFFU-KRWDZBQOSA-N 1 0 293.882 5.128 50 0 CKAARO CC(C)CC[C@@H]([NH+](C)C)C1(c2ccc(Cl)cc2)CCC1 ZINC000000346573 169612726 /nfs/dbraw/zinc/61/27/26/169612726.db2.gz ACYNEJXDDCLFFU-QGZVFWFLSA-N 1 0 293.882 5.128 50 0 CKAARO C[NH+](C)Cc1ccccc1Sc1cccc2ccccc21 ZINC000000346635 567825794 /nfs/dbraw/zinc/82/57/94/567825794.db2.gz DGZUNQTZDDPLAE-UHFFFAOYSA-N 1 0 293.435 5.053 50 0 CKAARO Cc1cc(C)c2[nH+]c(C)cc(Nc3cccc(Cl)c3)c2c1 ZINC000000949076 566831488 /nfs/dbraw/zinc/83/14/88/566831488.db2.gz OCOXQQCAXDBSGF-UHFFFAOYSA-N 1 0 296.801 5.557 50 0 CKAARO Cc1cc(Nc2cccc(C)c2C)c2ccc(C)c(C)c2[nH+]1 ZINC000000999292 567835275 /nfs/dbraw/zinc/83/52/75/567835275.db2.gz VPIURTPNAFTINE-UHFFFAOYSA-N 1 0 290.410 5.521 50 0 CKAARO Cc1cccc2cc(-c3ccccc3)c(-c3ccccc3)c[n+]12 ZINC000001019602 567835825 /nfs/dbraw/zinc/83/58/25/567835825.db2.gz PNUKEUIHMNPWLA-UHFFFAOYSA-N 1 0 296.393 5.068 50 0 aggregator CKAARO CC(C)c1ccc(N2C=[NH+]c3ccc(C(C)C)cc3C2)cc1 ZINC000001041673 567835735 /nfs/dbraw/zinc/83/57/35/567835735.db2.gz HPYGVQVYBLTAJP-UHFFFAOYSA-N 1 0 292.426 5.613 50 0 CKAARO c1ccc(-c2ccc(C[NH+]3CCCCCCC3)cc2)cc1 ZINC000001227258 567836347 /nfs/dbraw/zinc/83/63/47/567836347.db2.gz BTDKOFMWYIXWST-UHFFFAOYSA-N 1 0 279.427 5.120 50 0 CKAARO CC[C@H]1CCCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000001227988 567836400 /nfs/dbraw/zinc/83/64/00/567836400.db2.gz LKYKKYHKDXTEJF-SFHVURJKSA-N 1 0 295.426 5.243 50 0 CKAARO CC[C@@H]1CCCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000001227989 567836559 /nfs/dbraw/zinc/83/65/59/567836559.db2.gz LKYKKYHKDXTEJF-GOSISDBHSA-N 1 0 295.426 5.243 50 0 CKAARO CC(C)[NH+](CCC(c1ccccc1)c1ccccc1)C(C)C ZINC000001481784 169709586 /nfs/dbraw/zinc/70/95/86/169709586.db2.gz YBJKOPHEJOMRMN-UHFFFAOYSA-N 1 0 295.470 5.327 50 0 in-man CKAARO C1CCC([PH+](C2CCCCC2)C2CCCCC2)CC1 ZINC000001606139 567839376 /nfs/dbraw/zinc/83/93/76/567839376.db2.gz WLPUWLXVBWGYMZ-UHFFFAOYSA-N 1 0 280.436 6.466 50 0 CKAARO CCCC[N+]1=C(C)C(C)(C)c2c1ccc1ccccc21 ZINC000001798140 567843606 /nfs/dbraw/zinc/84/36/06/567843606.db2.gz LNCDMRDHYQVZJN-UHFFFAOYSA-N 1 0 266.408 5.036 50 0 CKAARO C(C(C1CCCCC1)C1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000001999542 169766452 /nfs/dbraw/zinc/76/64/52/169766452.db2.gz CYXKNKQEMFBLER-GOSISDBHSA-N 1 0 277.496 5.295 50 0 world CKAARO C(C(C1CCCCC1)C1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000001999543 567844085 /nfs/dbraw/zinc/84/40/85/567844085.db2.gz CYXKNKQEMFBLER-SFHVURJKSA-N 1 0 277.496 5.295 50 0 world CKAARO CC(C)=CCC/C(C)=C/CC(C)(C)C[NH2+]Cc1ccco1 ZINC000002106028 567844904 /nfs/dbraw/zinc/84/49/04/567844904.db2.gz JJZWDYRSEKOOGL-GZTJUZNOSA-N 1 0 289.463 5.478 50 0 CKAARO CC(C)(C)[PH+](c1ccccc1-c1ccccc1)C(C)(C)C ZINC000002386675 567845889 /nfs/dbraw/zinc/84/58/89/567845889.db2.gz CNXMDTWQWLGCPE-UHFFFAOYSA-N 1 0 298.410 6.058 50 0 CKAARO CCC(CC)[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000002466226 169793308 /nfs/dbraw/zinc/79/33/08/169793308.db2.gz JJIWESADTBLXAR-UHFFFAOYSA-N 1 0 294.442 5.093 50 0 CKAARO CCCC[N@H+](C)Cc1ccc2c(c1)c1ccccc1n2CC ZINC000002489882 567846039 /nfs/dbraw/zinc/84/60/39/567846039.db2.gz IHAMHIKYJQPLIS-UHFFFAOYSA-N 1 0 294.442 5.046 50 0 CKAARO c1c2ccccc2sc1C1([NH+]2CCCCC2)CCCCC1 ZINC000002530684 567847811 /nfs/dbraw/zinc/84/78/11/567847811.db2.gz RGSVXQJPSWZXOP-UHFFFAOYSA-N 1 0 299.483 5.547 50 0 in-vivo CKAARO CC(C)(C)[PH+](C1CCCCC1)C1CCCCC1 ZINC000002581129 567848738 /nfs/dbraw/zinc/84/87/38/567848738.db2.gz MQYZHXLHUNLBQH-UHFFFAOYSA-N 1 0 254.398 5.932 50 0 CKAARO CCC[NH+](CCC)CCCOc1cc(C)ccc1C(C)C ZINC000002823178 333056866 /nfs/dbraw/zinc/05/68/66/333056866.db2.gz CMRLUILFRAMVLM-UHFFFAOYSA-N 1 0 291.479 5.009 50 0 CKAARO CC[NH+](CC)CCCCCCOc1ccc2ccccc2c1 ZINC000002885600 169841497 /nfs/dbraw/zinc/84/14/97/169841497.db2.gz UTJDCASWJMQJOP-UHFFFAOYSA-N 1 0 299.458 5.121 50 0 CKAARO CCCC[NH2+]CCCCCCOc1ccccc1C(C)C ZINC000002899329 567850386 /nfs/dbraw/zinc/85/03/86/567850386.db2.gz KWRVTVHQNHWGGA-UHFFFAOYSA-N 1 0 291.479 5.139 50 0 CKAARO CCCC[NH2+]CCCCCCOc1ccc2ccccc2c1 ZINC000002901010 567850133 /nfs/dbraw/zinc/85/01/33/567850133.db2.gz RKMIFVCLQFSAHA-UHFFFAOYSA-N 1 0 299.458 5.169 50 0 CKAARO CCCC[NH2+]CCCCCCOc1cccc2ccccc21 ZINC000002901791 169843399 /nfs/dbraw/zinc/84/33/99/169843399.db2.gz MIDCYDCLMHEKKG-UHFFFAOYSA-N 1 0 299.458 5.169 50 0 CKAARO c1ccc2c(c1)cccc2C[NH2+]Cc1cccc2ccccc21 ZINC000003846306 567938182 /nfs/dbraw/zinc/93/81/82/567938182.db2.gz GKMOEOCCICICGF-UHFFFAOYSA-N 1 0 297.401 5.283 50 0 CKAARO c1ccc2cc(C[NH2+]Cc3ccc4ccccc4c3)ccc2c1 ZINC000003846307 567853911 /nfs/dbraw/zinc/85/39/11/567853911.db2.gz SIAVZWAYCUNWAB-UHFFFAOYSA-N 1 0 297.401 5.283 50 0 CKAARO CCCC[NH+](CCCC)CCC12CC3CC(CC(C3)C1)C2 ZINC000003897133 567854209 /nfs/dbraw/zinc/85/42/09/567854209.db2.gz AQFNAKOIHVGOLE-UHFFFAOYSA-N 1 0 291.523 5.495 50 0 CKAARO CC(C)CC[C@@H](CC[NH+]1Cc2ccccc2C1)c1ccco1 ZINC000004089120 567187845 /nfs/dbraw/zinc/18/78/45/567187845.db2.gz VUHAGIPPCJJCBL-KRWDZBQOSA-N 1 0 297.442 5.205 50 0 CKAARO CC(C)CC[C@H](CC[NH+]1Cc2ccccc2C1)c1ccco1 ZINC000004089122 567187875 /nfs/dbraw/zinc/18/78/75/567187875.db2.gz VUHAGIPPCJJCBL-QGZVFWFLSA-N 1 0 297.442 5.205 50 0 CKAARO CCCCCC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000004105109 566860758 /nfs/dbraw/zinc/86/07/58/566860758.db2.gz CPGRGSVSMIOVBF-UHFFFAOYSA-N 1 0 277.839 5.009 50 0 CKAARO CCCCCc1[nH+]c2c(C)cccn2c1NC1CCCCC1 ZINC000004158016 567189894 /nfs/dbraw/zinc/18/98/94/567189894.db2.gz NVMBOQYTQJCZQU-UHFFFAOYSA-N 1 0 299.462 5.120 50 0 CKAARO CC[n+]1c(/C=C2/C=C(C)[C@@H](C)[C@@H](C)C2)sc2ccccc21 ZINC000004182249 566874853 /nfs/dbraw/zinc/87/48/53/566874853.db2.gz NZHKTGOPQBLMSY-HYRSGWHKSA-N 1 0 298.475 5.214 50 0 CKAARO CC[n+]1c(/C=C2/C=C(C)[C@@H](C)[C@H](C)C2)sc2ccccc21 ZINC000004182250 566874030 /nfs/dbraw/zinc/87/40/30/566874030.db2.gz NZHKTGOPQBLMSY-RZUICQFFSA-N 1 0 298.475 5.214 50 0 CKAARO CC[n+]1c(/C=C2/C=C(C)[C@H](C)[C@@H](C)C2)sc2ccccc21 ZINC000004182251 566874076 /nfs/dbraw/zinc/87/40/76/566874076.db2.gz NZHKTGOPQBLMSY-HTVWXKGZSA-N 1 0 298.475 5.214 50 0 CKAARO CC[n+]1c(/C=C2/C=C(C)[C@H](C)[C@H](C)C2)sc2ccccc21 ZINC000004182253 566873909 /nfs/dbraw/zinc/87/39/09/566873909.db2.gz NZHKTGOPQBLMSY-IADCZWJFSA-N 1 0 298.475 5.214 50 0 CKAARO FC(F)(F)[s+]1c2ccccc2c2ccccc21 ZINC000004290203 567856559 /nfs/dbraw/zinc/85/65/59/567856559.db2.gz UVFIXEGOSUKAPD-UHFFFAOYSA-N 1 0 253.268 5.218 50 0 CKAARO c1ccc2cc(C[NH2+]Cc3cccc4ccccc43)ccc2c1 ZINC000004343360 567944900 /nfs/dbraw/zinc/94/49/00/567944900.db2.gz NKOBJVWGQSDPED-UHFFFAOYSA-N 1 0 297.401 5.283 50 0 CKAARO c1ccc2c(c1)ccc1c2-c2c(ccc3ccccc32)C[NH2+]C1 ZINC000004343972 567857064 /nfs/dbraw/zinc/85/70/64/567857064.db2.gz YZXDPXIVNVKRNR-UHFFFAOYSA-N 1 0 295.385 5.263 50 0 CKAARO CCCCCC[NH+](CCCCCC)CCCCCC ZINC000004521886 567857758 /nfs/dbraw/zinc/85/77/58/567857758.db2.gz DIAIBWNEUYXDNL-UHFFFAOYSA-N 1 0 269.517 6.029 50 0 CKAARO CCC(CC)Nc1cc(-c2ccccc2)[nH+]c2ccccc12 ZINC000004541741 566909931 /nfs/dbraw/zinc/90/99/31/566909931.db2.gz PQYKDAPHUXZIPA-UHFFFAOYSA-N 1 0 290.410 5.502 50 0 CKAARO CCc1ccc(-c2cc(NC(C)C)c3ccccc3[nH+]2)cc1 ZINC000004542575 566910162 /nfs/dbraw/zinc/91/01/62/566910162.db2.gz GDDZQLYWAFZIGT-UHFFFAOYSA-N 1 0 290.410 5.285 50 0 CKAARO C(CCC1CCCCC1)C[NH2+]CCCCC1CCCCC1 ZINC000004582497 169986573 /nfs/dbraw/zinc/98/65/73/169986573.db2.gz XKVFGSGQNCMLFW-UHFFFAOYSA-N 1 0 293.539 6.077 50 0 CKAARO [NH3+][C@@H](CCCCc1ccccc1)c1cccc2ccccc21 ZINC000004655787 570246914 /nfs/dbraw/zinc/24/69/14/570246914.db2.gz VCRZNKAFOJDHHR-NRFANRHFSA-N 1 0 289.422 5.253 50 0 CKAARO [NH3+][C@H](CCCCc1ccccc1)c1cccc2ccccc21 ZINC000004655788 570246949 /nfs/dbraw/zinc/24/69/49/570246949.db2.gz VCRZNKAFOJDHHR-OAQYLSRUSA-N 1 0 289.422 5.253 50 0 CKAARO CC[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1Cl ZINC000004688996 567901938 /nfs/dbraw/zinc/90/19/38/567901938.db2.gz SAHMKGIFOUSNHQ-UHFFFAOYSA-N 1 0 294.225 5.016 50 0 CKAARO CCCCCC[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000004695053 170000386 /nfs/dbraw/zinc/00/03/86/170000386.db2.gz GWWSXDUHNWOZPU-MRXNPFEDSA-N 1 0 269.432 5.288 50 0 CKAARO CCCCCC[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC000004695054 170000374 /nfs/dbraw/zinc/00/03/74/170000374.db2.gz GWWSXDUHNWOZPU-INIZCTEOSA-N 1 0 269.432 5.288 50 0 CKAARO c1ccc2c(c1)cccc2C[NH2+][C@@H]1CCCc2ccccc21 ZINC000004695058 170000079 /nfs/dbraw/zinc/00/00/79/170000079.db2.gz STVLVCVLZYGPGU-OAQYLSRUSA-N 1 0 287.406 5.007 50 0 CKAARO c1ccc2c(c1)cccc2C[NH2+][C@H]1CCCc2ccccc21 ZINC000004695059 170000154 /nfs/dbraw/zinc/00/01/54/170000154.db2.gz STVLVCVLZYGPGU-NRFANRHFSA-N 1 0 287.406 5.007 50 0 CKAARO CCCC[C@@H](CC)C[NH2+]Cc1cccc2ccccc21 ZINC000004699179 170000783 /nfs/dbraw/zinc/00/07/83/170000783.db2.gz ZNOTUGHOUBDTIT-MRXNPFEDSA-N 1 0 269.432 5.146 50 0 CKAARO CCCC[C@H](CC)C[NH2+]Cc1cccc2ccccc21 ZINC000004699181 170000977 /nfs/dbraw/zinc/00/09/77/170000977.db2.gz ZNOTUGHOUBDTIT-INIZCTEOSA-N 1 0 269.432 5.146 50 0 CKAARO O=C1CCCC[C@H]1/C1=[NH+]/CCCCCCCCCCC1 ZINC000004822749 170024009 /nfs/dbraw/zinc/02/40/09/170024009.db2.gz MTODEPJZNVUEGQ-QBHGPPCGSA-N 1 0 277.452 5.101 50 0 CKAARO O=C1CCCC[C@@H]1/C1=[NH+]/CCCCCCCCCCC1 ZINC000004822764 170023920 /nfs/dbraw/zinc/02/39/20/170023920.db2.gz MTODEPJZNVUEGQ-GWOGKKTRSA-N 1 0 277.452 5.101 50 0 CKAARO Clc1cccc(-c2ccc(C[NH2+]C3CCCCC3)o2)c1 ZINC000004841009 170027730 /nfs/dbraw/zinc/02/77/30/170027730.db2.gz TUSAQGKSLDLCEF-UHFFFAOYSA-N 1 0 289.806 5.022 50 0 CKAARO CCCCNc1c2ccccc2[nH+]c2c1C=CC(C)(C)C2 ZINC000004863059 170032261 /nfs/dbraw/zinc/03/22/61/170032261.db2.gz GHRZBTBCFAFYFZ-UHFFFAOYSA-N 1 0 280.415 5.042 50 0 CKAARO Cc1ccc(C)c(Nc2cc(C)[nH+]c3c(C)cccc23)c1 ZINC000004894788 170037371 /nfs/dbraw/zinc/03/73/71/170037371.db2.gz NBBKKCVRUHUZPF-UHFFFAOYSA-N 1 0 276.383 5.212 50 0 CKAARO CC[NH+](CC)CC[C@@H](c1ccccc1)C1CCCCC1 ZINC000004905193 170038835 /nfs/dbraw/zinc/03/88/35/170038835.db2.gz AZSZYHAVBYZQLH-IBGZPJMESA-N 1 0 273.464 5.082 50 0 CKAARO CC[NH+](CC)CC[C@H](c1ccccc1)C1CCCCC1 ZINC000004905203 170039265 /nfs/dbraw/zinc/03/92/65/170039265.db2.gz AZSZYHAVBYZQLH-LJQANCHMSA-N 1 0 273.464 5.082 50 0 CKAARO CCC[C@@H]1CCC[C@H](CCC)[N@H+]1Cc1ccccc1 ZINC000004955776 170045029 /nfs/dbraw/zinc/04/50/29/170045029.db2.gz GACFRPWKGQMBOJ-HDICACEKSA-N 1 0 259.437 5.010 50 0 CKAARO CCC[C@H]1CCC[C@H](CCC)[NH+]1Cc1ccccc1 ZINC000004955777 170045322 /nfs/dbraw/zinc/04/53/22/170045322.db2.gz GACFRPWKGQMBOJ-ROUUACIJSA-N 1 0 259.437 5.010 50 0 CKAARO CCC[C@@H]1CCC[C@@H](CCC)[NH+]1Cc1ccccc1 ZINC000004955779 170045254 /nfs/dbraw/zinc/04/52/54/170045254.db2.gz GACFRPWKGQMBOJ-QZTJIDSGSA-N 1 0 259.437 5.010 50 0 CKAARO C[S+]=c1ssc2c1-c1cc(C)ccc1NC2(C)C ZINC000005002806 170053824 /nfs/dbraw/zinc/05/38/24/170053824.db2.gz MAGFXOWHDIOXAK-UHFFFAOYSA-N 1 0 294.490 5.449 50 0 CKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)o1 ZINC000005031773 170058716 /nfs/dbraw/zinc/05/87/16/170058716.db2.gz PGLKZBJSZVVTME-NXNVCVFFSA-N 1 0 291.479 5.059 50 0 CKAARO Cc1cc(C)c2[nH+]c(C)cc(Nc3cccc(C)c3C)c2c1 ZINC000005129237 170069164 /nfs/dbraw/zinc/06/91/64/170069164.db2.gz KMFGISBGCRMVQT-UHFFFAOYSA-N 1 0 290.410 5.521 50 0 CKAARO CC(C)CC[C@H](CC[NH2+]C1CCC(C)CC1)c1ccco1 ZINC000005203518 170076033 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ZINC000005276967 170082120 /nfs/dbraw/zinc/08/21/20/170082120.db2.gz BBIFSSHXMKXRCB-UHFFFAOYSA-N 1 0 263.385 5.672 50 0 CKAARO CC(C)(C)c1cc(-c2ccncc2)cc(C(C)(C)C)[s+]1 ZINC000005284231 170082918 /nfs/dbraw/zinc/08/29/18/170082918.db2.gz ZBAAHDWBKUJKGZ-UHFFFAOYSA-N 1 0 286.464 5.686 50 0 CKAARO CC(C)(C)c1cc(-c2ccccc2)cc(C(C)(C)C)[s+]1 ZINC000005284240 170082794 /nfs/dbraw/zinc/08/27/94/170082794.db2.gz YRWDRHNUVQTJNA-UHFFFAOYSA-N 1 0 285.476 6.291 50 0 CKAARO CC(C)c1cc(C(C)(C)C)[s+]c(C(C)(C)C)c1 ZINC000005285154 170082828 /nfs/dbraw/zinc/08/28/28/170082828.db2.gz LQMHQOWUHHWFPP-UHFFFAOYSA-N 1 0 251.459 5.748 50 0 CKAARO CC(C)CC[C@@H](CC[NH2+]Cc1cccs1)c1ccco1 ZINC000005307370 170084754 /nfs/dbraw/zinc/08/47/54/170084754.db2.gz NKKKVOUHYNVHPH-HNNXBMFYSA-N 1 0 291.460 5.041 50 0 CKAARO CC(C)CC[C@H](CC[NH2+]Cc1cccs1)c1ccco1 ZINC000005307373 170084924 /nfs/dbraw/zinc/08/49/24/170084924.db2.gz NKKKVOUHYNVHPH-OAHLLOKOSA-N 1 0 291.460 5.041 50 0 CKAARO Cc1cc(Nc2ccc(Cl)cc2)c2ccc(C)c(C)c2[nH+]1 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C[C@@H]([NH2+]C1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000005937045 170158208 /nfs/dbraw/zinc/15/82/08/170158208.db2.gz GCHPYYMTNJIRBC-OAHLLOKOSA-N 1 0 285.390 5.107 50 0 CKAARO Cc1cc(Nc2cccc(Cl)c2C)c2ccccc2[nH+]1 ZINC000006235774 170184272 /nfs/dbraw/zinc/18/42/72/170184272.db2.gz FCWPNSUURGTSIY-UHFFFAOYSA-N 1 0 282.774 5.249 50 0 CKAARO Cc1ccc2[nH+]c(C)cc(Nc3cccc(Cl)c3)c2c1 ZINC000006256444 326818080 /nfs/dbraw/zinc/81/80/80/326818080.db2.gz HJXBFDYQAUZYNW-UHFFFAOYSA-N 1 0 282.774 5.249 50 0 CKAARO CCc1ccccc1Nc1c2c([nH+]c3ccccc31)CCC2 ZINC000006388228 170197114 /nfs/dbraw/zinc/19/71/14/170197114.db2.gz LTBKVMKFTFLKPO-UHFFFAOYSA-N 1 0 288.394 5.030 50 0 CKAARO CCc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000006543158 170212171 /nfs/dbraw/zinc/21/21/71/170212171.db2.gz JZPRTOKOPGEHMW-JWEZTNTCSA-N 1 0 297.486 5.088 50 0 CKAARO C[C@]12CC3CC([NH2+]C/C=C/c4ccccc4)(C1)C[C@@](C)(C3)C2 ZINC000006586754 170216265 /nfs/dbraw/zinc/21/62/65/170216265.db2.gz PYSJJMXETHGNHZ-SDKVNBGOSA-N 1 0 295.470 5.038 50 0 CKAARO CC(C)CC[C@@H](CC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000006669380 170224415 /nfs/dbraw/zinc/22/44/15/170224415.db2.gz QUYRHWTVTMXJSI-KRWDZBQOSA-N 1 0 293.882 5.346 50 0 CKAARO CC(C)CC[C@H](CC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000006669381 170224565 /nfs/dbraw/zinc/22/45/65/170224565.db2.gz QUYRHWTVTMXJSI-QGZVFWFLSA-N 1 0 293.882 5.346 50 0 CKAARO Cc1ccccc1Nc1c2ccccc2[nH+]c2c1CCCC2 ZINC000006746210 170239352 /nfs/dbraw/zinc/23/93/52/170239352.db2.gz AOPAQCGQDZRUSF-UHFFFAOYSA-N 1 0 288.394 5.166 50 0 CKAARO CC[S+]=c1nc(-c2ccccc2)sc2c1CCCC2 ZINC000006754776 170240880 /nfs/dbraw/zinc/24/08/80/170240880.db2.gz VOAFOIJPUYWXFI-UHFFFAOYSA-N 1 0 288.461 5.082 50 0 CKAARO CC(C)(C)CC(C)(C)[NH2+]Cc1c(Cl)cccc1Cl ZINC000006857330 170250011 /nfs/dbraw/zinc/25/00/11/170250011.db2.gz BNBCTKQCFPCWNX-UHFFFAOYSA-N 1 0 288.262 5.298 50 0 CKAARO COc1ccc2ccccc2c1C[NH2+]C(C)(C)CC(C)(C)C ZINC000006857332 170250334 /nfs/dbraw/zinc/25/03/34/170250334.db2.gz MISDLUOJEXJGTN-UHFFFAOYSA-N 1 0 299.458 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5.038 50 0 CKAARO CC(C)c1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1 ZINC000007009319 170262472 /nfs/dbraw/zinc/26/24/72/170262472.db2.gz NTIFFILQDYAYDW-UHFFFAOYSA-N 1 0 261.453 5.114 50 0 CKAARO CC(C)c1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000007009331 170262484 /nfs/dbraw/zinc/26/24/84/170262484.db2.gz PVNWIEWBRHMGLT-UHFFFAOYSA-N 1 0 259.437 5.013 50 0 CKAARO CCCCCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000007261044 170273777 /nfs/dbraw/zinc/27/37/77/170273777.db2.gz HZDOBRKEUTVBGQ-UHFFFAOYSA-N 1 0 267.416 5.024 50 0 CKAARO CCCCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000007261055 170274089 /nfs/dbraw/zinc/27/40/89/170274089.db2.gz MMDYSRJIXFLRQU-UHFFFAOYSA-N 1 0 291.822 5.270 50 0 CKAARO CCCCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000007261060 170273795 /nfs/dbraw/zinc/27/37/95/170273795.db2.gz HOWYMGNPVLDAET-UHFFFAOYSA-N 1 0 291.822 5.270 50 0 CKAARO CCCCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000007261318 170273989 /nfs/dbraw/zinc/27/39/89/170273989.db2.gz ILQVKPQTOZMVJF-UHFFFAOYSA-N 1 0 295.785 5.019 50 0 CKAARO CCCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000007261329 170273657 /nfs/dbraw/zinc/27/36/57/170273657.db2.gz LGIKEZBIWNWMBW-UHFFFAOYSA-N 1 0 291.822 5.188 50 0 CKAARO CCCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007261706 170273982 /nfs/dbraw/zinc/27/39/82/170273982.db2.gz NPBFFFLSXBFHDD-UHFFFAOYSA-N 1 0 298.213 5.143 50 0 CKAARO CCCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007261707 170274004 /nfs/dbraw/zinc/27/40/04/170274004.db2.gz QJPPWYDHFVLSHS-UHFFFAOYSA-N 1 0 298.213 5.143 50 0 CKAARO CCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007261716 170273757 /nfs/dbraw/zinc/27/37/57/170273757.db2.gz QOKGFIGMWGGBMQ-UHFFFAOYSA-N 1 0 298.213 5.143 50 0 CKAARO CCOc1ccc(Cl)cc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000007520969 170287897 /nfs/dbraw/zinc/28/78/97/170287897.db2.gz MZBKCOWBAUZYAP-UHFFFAOYSA-N 1 0 297.870 5.043 50 0 CKAARO c1ccc2c(c1)cccc2C[NH2+]C1CCCCCCC1 ZINC000007521948 170288423 /nfs/dbraw/zinc/28/84/23/170288423.db2.gz ZMLAWJQAAKLLAV-UHFFFAOYSA-N 1 0 267.416 5.042 50 0 CKAARO Clc1ccc(C[NH2+]C2CCCCCCC2)c(Cl)c1 ZINC000007522749 170288419 /nfs/dbraw/zinc/28/84/19/170288419.db2.gz LWHGTGNXFBPYRV-UHFFFAOYSA-N 1 0 286.246 5.196 50 0 CKAARO Clc1cccc(Cl)c1C[NH2+]C1CCCCCCC1 ZINC000007522790 170288536 /nfs/dbraw/zinc/28/85/36/170288536.db2.gz SZDAZVBRAQZEMV-UHFFFAOYSA-N 1 0 286.246 5.196 50 0 CKAARO COc1ccc2ccccc2c1C[NH2+]C1CCCCCCC1 ZINC000007523473 170288691 /nfs/dbraw/zinc/28/86/91/170288691.db2.gz RQKDPAFMWPJTBN-UHFFFAOYSA-N 1 0 297.442 5.051 50 0 CKAARO c1ccc(-c2ccc(C[NH2+]C3CCCCCCC3)cc2)cc1 ZINC000007523484 170288889 /nfs/dbraw/zinc/28/88/89/170288889.db2.gz FYAVZFZOCVQWOG-UHFFFAOYSA-N 1 0 293.454 5.556 50 0 CKAARO Clc1cccc(C[NH2+]C2CCCCCCC2)c1Cl ZINC000007523557 170288826 /nfs/dbraw/zinc/28/88/26/170288826.db2.gz KPUBKOVUDQDVJI-UHFFFAOYSA-N 1 0 286.246 5.196 50 0 CKAARO Clc1ccc(C[NH2+]C2CCCCCCC2)cc1Cl ZINC000007523560 170288840 /nfs/dbraw/zinc/28/88/40/170288840.db2.gz IDLXFTKZQGLOPK-UHFFFAOYSA-N 1 0 286.246 5.196 50 0 CKAARO c1cc(-c2ccccc2)oc1C[NH2+]C1CCCCCCC1 ZINC000007524271 170288797 /nfs/dbraw/zinc/28/87/97/170288797.db2.gz LNBNDRPZWBXLNP-UHFFFAOYSA-N 1 0 283.415 5.149 50 0 CKAARO CC[C@@H](C)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007524496 170288951 /nfs/dbraw/zinc/28/89/51/170288951.db2.gz XUKHGZLQOTUOIE-SNVBAGLBSA-N 1 0 298.213 5.142 50 0 CKAARO CC[C@H](C)[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007524499 170288813 /nfs/dbraw/zinc/28/88/13/170288813.db2.gz XUKHGZLQOTUOIE-JTQLQIEISA-N 1 0 298.213 5.142 50 0 CKAARO Clc1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)cc1 ZINC000007524573 170288836 /nfs/dbraw/zinc/28/88/36/170288836.db2.gz CHACSJGDIWRMPD-UHFFFAOYSA-N 1 0 289.806 5.022 50 0 CKAARO CC[C@@H](C)[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007524725 170288655 /nfs/dbraw/zinc/28/86/55/170288655.db2.gz IUBDFDXKFQKQFA-SNVBAGLBSA-N 1 0 298.213 5.142 50 0 CKAARO CC[C@H](C)[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007524728 170288787 /nfs/dbraw/zinc/28/87/87/170288787.db2.gz IUBDFDXKFQKQFA-JTQLQIEISA-N 1 0 298.213 5.142 50 0 CKAARO CC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007539015 170290138 /nfs/dbraw/zinc/29/01/38/170290138.db2.gz QXRRHNJNCZTLER-SNVBAGLBSA-N 1 0 298.213 5.142 50 0 CKAARO CC[C@H](C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007539019 170290369 /nfs/dbraw/zinc/29/03/69/170290369.db2.gz QXRRHNJNCZTLER-JTQLQIEISA-N 1 0 298.213 5.142 50 0 CKAARO CCOc1ccc2ccccc2c1C[NH2+]C1CCCCCC1 ZINC000008325071 170331265 /nfs/dbraw/zinc/33/12/65/170331265.db2.gz SBVYLTIKAHBHKH-UHFFFAOYSA-N 1 0 297.442 5.051 50 0 CKAARO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000008534265 170339027 /nfs/dbraw/zinc/33/90/27/170339027.db2.gz ZPDBGUNITLRZKO-KRWDZBQOSA-N 1 0 287.406 5.204 50 0 CKAARO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000008535337 170339296 /nfs/dbraw/zinc/33/92/96/170339296.db2.gz ZPDBGUNITLRZKO-QGZVFWFLSA-N 1 0 287.406 5.204 50 0 CKAARO C[C@@H](C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)c1ccccc1 ZINC000010436623 567939734 /nfs/dbraw/zinc/93/97/34/567939734.db2.gz MANGNMBWVLYNFB-NRVWQWSLSA-N 1 0 297.486 5.129 50 0 CKAARO C[C@H](C[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2)c1ccccc1 ZINC000010436624 567939697 /nfs/dbraw/zinc/93/96/97/567939697.db2.gz MANGNMBWVLYNFB-FBKSWBLFSA-N 1 0 297.486 5.129 50 0 CKAARO CCOc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1Cl ZINC000010475337 567861785 /nfs/dbraw/zinc/86/17/85/567861785.db2.gz LIVHCERXBSNYKZ-UHFFFAOYSA-N 1 0 297.870 5.043 50 0 CKAARO C[N+]1=C(/C=C/c2ccc(Cl)cc2)C(C)(C)c2ccccc21 ZINC000012583576 570328199 /nfs/dbraw/zinc/32/81/99/570328199.db2.gz MXBPGNFEJZNWQR-JLHYYAGUSA-N 1 0 296.821 5.059 50 0 CKAARO CC(C)=CCC/C(C)=C\CC(C)(C)C[NH+]1CCCCC1 ZINC000012656639 570395600 /nfs/dbraw/zinc/39/56/00/570395600.db2.gz GBAJOZSDDXKZJQ-PDGQHHTCSA-N 1 0 277.496 5.581 50 0 CKAARO CC[n+]1c(/C=C2\C=C(C)CC(C)(C)C2)sc2ccccc21 ZINC000013119355 170533015 /nfs/dbraw/zinc/53/30/15/170533015.db2.gz HASRMKAJHCVHOP-RVDMUPIBSA-N 1 0 298.475 5.358 50 0 CKAARO c1ccc(-c2ccc(C[NH2+]CCC3=CCCCC3)cc2)cc1 ZINC000013723778 170582137 /nfs/dbraw/zinc/58/21/37/170582137.db2.gz IEOIMBWDMIUUIX-UHFFFAOYSA-N 1 0 291.438 5.334 50 0 CKAARO Fc1ccccc1-c1ccc(C[NH2+]CCC2=CCCCC2)o1 ZINC000013723847 567867659 /nfs/dbraw/zinc/86/76/59/567867659.db2.gz PMGCEYVAQRGOLF-UHFFFAOYSA-N 1 0 299.389 5.066 50 0 CKAARO Fc1ccc(-c2ccc(C[NH2+]CCC3=CCCCC3)o2)cc1 ZINC000013723850 567942239 /nfs/dbraw/zinc/94/22/39/567942239.db2.gz ILLHDYJORFKYNV-UHFFFAOYSA-N 1 0 299.389 5.066 50 0 CKAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCC(C)C)o1 ZINC000013724404 567867712 /nfs/dbraw/zinc/86/77/12/567867712.db2.gz XGJGHSPFEZJRIV-UHFFFAOYSA-N 1 0 291.822 5.044 50 0 CKAARO Cc1ccc(-c2ccc(C[NH2+]CCC(C)C)o2)cc1Cl ZINC000013724495 567867350 /nfs/dbraw/zinc/86/73/50/567867350.db2.gz WBFOQDNQTPBLSZ-UHFFFAOYSA-N 1 0 291.822 5.044 50 0 CKAARO CCn1c2ccccc2c2cc(C[NH2+]C(C)(C)CC)ccc21 ZINC000013724950 567942140 /nfs/dbraw/zinc/94/21/40/567942140.db2.gz LBKCPGCFRHJYSX-UHFFFAOYSA-N 1 0 294.442 5.093 50 0 CKAARO CCC(C)(C)[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000013724985 567867687 /nfs/dbraw/zinc/86/76/87/567867687.db2.gz YAIJFQHPBBCFMR-UHFFFAOYSA-N 1 0 291.822 5.187 50 0 CKAARO CCC(C)(C)[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000013724997 567867493 /nfs/dbraw/zinc/86/74/93/567867493.db2.gz CXMIKFPQDOJHLE-UHFFFAOYSA-N 1 0 295.785 5.017 50 0 CKAARO CCC(C)(C)[NH2+]Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000013725106 567867448 /nfs/dbraw/zinc/86/74/48/567867448.db2.gz UBLKRVAODTZRMN-UHFFFAOYSA-N 1 0 291.822 5.187 50 0 CKAARO c1ccc(-c2ccc(C[NH2+]C3CCCCCC3)cc2)cc1 ZINC000016493131 567944476 /nfs/dbraw/zinc/94/44/76/567944476.db2.gz UYKLEIJLXGXYSI-UHFFFAOYSA-N 1 0 279.427 5.166 50 0 CKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000016677700 567873429 /nfs/dbraw/zinc/87/34/29/567873429.db2.gz PGLKZBJSZVVTME-YQFWSFKMSA-N 1 0 291.479 5.059 50 0 CKAARO CCCCCCn1c2ccccc2nc1CC(C)(C)C ZINC000016740577 570367448 /nfs/dbraw/zinc/36/74/48/570367448.db2.gz NVDXPPRDOBPORQ-UHFFFAOYSA-N 1 0 272.436 5.205 50 0 CKAARO C[N+]1=C(/C=C\c2ccc(Cl)cc2)C(C)(C)c2ccccc21 ZINC000017145625 567033565 /nfs/dbraw/zinc/03/35/65/567033565.db2.gz MXBPGNFEJZNWQR-RAXLEYEMSA-N 1 0 296.821 5.059 50 0 CKAARO c1ccc([C@@H]2[NH2+][C@H](c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000019369907 567877831 /nfs/dbraw/zinc/87/78/31/567877831.db2.gz GUWDVBGTMKIQDY-FKBYEOEOSA-N 1 0 299.417 5.246 50 0 CKAARO c1ccc([C@@H]2C[C@@H](c3ccccc3)[C@@H](c3ccccc3)[NH2+]2)cc1 ZINC000019369910 567877840 /nfs/dbraw/zinc/87/78/40/567877840.db2.gz GUWDVBGTMKIQDY-FDFHNCONSA-N 1 0 299.417 5.246 50 0 CKAARO C1CCN(C2=C(/C3=[NH+]/CCCCCCC3)CCCC2)CC1 ZINC000019877884 567946377 /nfs/dbraw/zinc/94/63/77/567946377.db2.gz UVCUWFRJCRGXPN-CZIZESTLSA-N 1 0 288.479 5.096 50 0 CKAARO Cc1ccc(Nc2c3c([nH+]c4ccccc42)CCC3)c(C)c1 ZINC000020858496 171276394 /nfs/dbraw/zinc/27/63/94/171276394.db2.gz HFISVXDHRDZZFB-UHFFFAOYSA-N 1 0 288.394 5.084 50 0 CKAARO Cc1cc(C)cc(Nc2c3c([nH+]c4ccccc42)CCC3)c1 ZINC000020858500 171276356 /nfs/dbraw/zinc/27/63/56/171276356.db2.gz MXDFTQASSMLXLU-UHFFFAOYSA-N 1 0 288.394 5.084 50 0 CKAARO Cc1ccc(Nc2c3c([nH+]c4ccccc42)CCC3)cc1C ZINC000020858505 171276443 /nfs/dbraw/zinc/27/64/43/171276443.db2.gz ZVTOQRDBANXCKY-UHFFFAOYSA-N 1 0 288.394 5.084 50 0 CKAARO Cc1ccc(C)c(Nc2c3c([nH+]c4ccccc42)CCC3)c1 ZINC000020858510 171276271 /nfs/dbraw/zinc/27/62/71/171276271.db2.gz FYWJIRYXDFLCLY-UHFFFAOYSA-N 1 0 288.394 5.084 50 0 CKAARO Clc1ccccc1-c1ccc(C[NH2+]C2CCCCC2)o1 ZINC000020875989 171277410 /nfs/dbraw/zinc/27/74/10/171277410.db2.gz FWMNVIBFVVSTOM-UHFFFAOYSA-N 1 0 289.806 5.022 50 0 CKAARO CCCCCC[NH2+]Cc1ccc(-c2ccccc2Cl)o1 ZINC000020876028 171277493 /nfs/dbraw/zinc/27/74/93/171277493.db2.gz XWDOTEOJLKOXQG-UHFFFAOYSA-N 1 0 291.822 5.270 50 0 CKAARO CCCCC[NH2+]Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000020876595 171277598 /nfs/dbraw/zinc/27/75/98/171277598.db2.gz GKXSOTMNWJMZHB-UHFFFAOYSA-N 1 0 291.822 5.188 50 0 CKAARO CCCOc1ccc2ccccc2c1C[NH2+]C1CCCCC1 ZINC000020930453 171281090 /nfs/dbraw/zinc/28/10/90/171281090.db2.gz LXKIOYZBXCILLF-UHFFFAOYSA-N 1 0 297.442 5.051 50 0 CKAARO CCCCCC[NH2+]Cc1c(OCCC)ccc2ccccc21 ZINC000020930614 171281064 /nfs/dbraw/zinc/28/10/64/171281064.db2.gz CESCGWSXMRDMHE-UHFFFAOYSA-N 1 0 299.458 5.299 50 0 CKAARO Cc1ccc(C[NH2+][C@H](C)c2cccc3ccccc32)s1 ZINC000021021356 570303341 /nfs/dbraw/zinc/30/33/41/570303341.db2.gz BYXALAOLPSSBQP-CQSZACIVSA-N 1 0 281.424 5.061 50 0 CKAARO Cc1ccc(C[NH2+][C@@H](C)c2cccc3ccccc32)s1 ZINC000021021363 327921097 /nfs/dbraw/zinc/92/10/97/327921097.db2.gz BYXALAOLPSSBQP-AWEZNQCLSA-N 1 0 281.424 5.061 50 0 CKAARO [NH3+][C@@H](CC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000021047341 171294621 /nfs/dbraw/zinc/29/46/21/171294621.db2.gz QKFUCIVFQJXZAA-IBGZPJMESA-N 1 0 281.399 5.059 50 0 CKAARO [NH3+][C@H](CC1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000021047347 171294569 /nfs/dbraw/zinc/29/45/69/171294569.db2.gz QKFUCIVFQJXZAA-LJQANCHMSA-N 1 0 281.399 5.059 50 0 CKAARO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CCc2ccco2)cc1 ZINC000021059564 171296907 /nfs/dbraw/zinc/29/69/07/171296907.db2.gz QDFXNWPISVWGCZ-HOTGVXAUSA-N 1 0 285.431 5.075 50 0 CKAARO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)CCc2ccco2)cc1 ZINC000021059568 171296685 /nfs/dbraw/zinc/29/66/85/171296685.db2.gz QDFXNWPISVWGCZ-CVEARBPZSA-N 1 0 285.431 5.075 50 0 CKAARO CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CCc2ccco2)cc1 ZINC000021059573 171296744 /nfs/dbraw/zinc/29/67/44/171296744.db2.gz QDFXNWPISVWGCZ-JKSUJKDBSA-N 1 0 285.431 5.075 50 0 CKAARO CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)CCc2ccco2)cc1 ZINC000021059577 171296894 /nfs/dbraw/zinc/29/68/94/171296894.db2.gz QDFXNWPISVWGCZ-HZPDHXFCSA-N 1 0 285.431 5.075 50 0 CKAARO CC[C@@H]([NH2+]CCCCCCC(C)C)c1ccc(F)cc1 ZINC000021801338 171326107 /nfs/dbraw/zinc/32/61/07/171326107.db2.gz AYNAPYVDJFZJJX-GOSISDBHSA-N 1 0 279.443 5.473 50 0 CKAARO CC[C@H]([NH2+]CCCCCCC(C)C)c1ccc(F)cc1 ZINC000021801341 171326083 /nfs/dbraw/zinc/32/60/83/171326083.db2.gz AYNAPYVDJFZJJX-SFHVURJKSA-N 1 0 279.443 5.473 50 0 CKAARO Cc1cc(N[C@H]2CCCC[C@H]2C)nc2cc(Cl)ccc12 ZINC000023634595 567881967 /nfs/dbraw/zinc/88/19/67/567881967.db2.gz BPIWODJPVVAGSX-ABAIWWIYSA-N 1 0 288.822 5.187 50 0 CKAARO Cc1cc(N[C@H]2CCCC[C@@H]2C)nc2cc(Cl)ccc12 ZINC000023634596 567882110 /nfs/dbraw/zinc/88/21/10/567882110.db2.gz BPIWODJPVVAGSX-NHYWBVRUSA-N 1 0 288.822 5.187 50 0 CKAARO Cc1cc(N[C@@H]2CCCC[C@H]2C)nc2cc(Cl)ccc12 ZINC000023634598 567881996 /nfs/dbraw/zinc/88/19/96/567881996.db2.gz BPIWODJPVVAGSX-IAQYHMDHSA-N 1 0 288.822 5.187 50 0 CKAARO Cc1cc(N[C@@H]2CCCC[C@@H]2C)nc2cc(Cl)ccc12 ZINC000023634599 567882122 /nfs/dbraw/zinc/88/21/22/567882122.db2.gz BPIWODJPVVAGSX-XHDPSFHLSA-N 1 0 288.822 5.187 50 0 CKAARO CCc1c(C)[nH]c(/C=C/C=C2/[NH+]=C(C)C(CC)=C2C)c1C ZINC000025726029 570231399 /nfs/dbraw/zinc/23/13/99/570231399.db2.gz PVUYVDVINSBRKT-FWTLAULQSA-N 1 0 282.431 5.292 50 0 CKAARO CCCC[C@@H](CC)C[N@@H+](C)C[C@@H](CC)CCCC ZINC000032192542 567886095 /nfs/dbraw/zinc/88/60/95/567886095.db2.gz VPCAZZICACQNKZ-CALCHBBNSA-N 1 0 255.490 5.351 50 0 CKAARO CCCC[C@H](CC)C[NH+](C)C[C@@H](CC)CCCC ZINC000032192543 171720846 /nfs/dbraw/zinc/72/08/46/171720846.db2.gz VPCAZZICACQNKZ-IRXDYDNUSA-N 1 0 255.490 5.351 50 0 CKAARO CCCC[C@@H](CC)C[NH+](C)C[C@H](CC)CCCC ZINC000032192544 567886036 /nfs/dbraw/zinc/88/60/36/567886036.db2.gz VPCAZZICACQNKZ-IAGOWNOFSA-N 1 0 255.490 5.351 50 0 CKAARO Cc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1C ZINC000033087050 567886363 /nfs/dbraw/zinc/88/63/63/567886363.db2.gz PQNDRDCYNCEXGC-GOSISDBHSA-N 1 0 299.483 5.482 50 0 CKAARO Cc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1C ZINC000033087051 567886508 /nfs/dbraw/zinc/88/65/08/567886508.db2.gz PQNDRDCYNCEXGC-SFHVURJKSA-N 1 0 299.483 5.482 50 0 CKAARO Cc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)s1 ZINC000033087056 567886348 /nfs/dbraw/zinc/88/63/48/567886348.db2.gz LQRYGMCWMIFWDC-OAHLLOKOSA-N 1 0 291.485 5.235 50 0 CKAARO Cc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)s1 ZINC000033087057 567886366 /nfs/dbraw/zinc/88/63/66/567886366.db2.gz LQRYGMCWMIFWDC-HNNXBMFYSA-N 1 0 291.485 5.235 50 0 CKAARO Cc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)c(C)c1 ZINC000033087060 567886225 /nfs/dbraw/zinc/88/62/25/567886225.db2.gz UIGPHDUODPLLCZ-GOSISDBHSA-N 1 0 299.483 5.482 50 0 CKAARO Cc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)c(C)c1 ZINC000033087061 567886439 /nfs/dbraw/zinc/88/64/39/567886439.db2.gz UIGPHDUODPLLCZ-SFHVURJKSA-N 1 0 299.483 5.482 50 0 CKAARO Fc1cccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087070 567886339 /nfs/dbraw/zinc/88/63/39/567886339.db2.gz BZBLTBILDCJBFC-MRXNPFEDSA-N 1 0 289.419 5.005 50 0 CKAARO Fc1cccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)c1 ZINC000033087071 567886200 /nfs/dbraw/zinc/88/62/00/567886200.db2.gz BZBLTBILDCJBFC-INIZCTEOSA-N 1 0 289.419 5.005 50 0 CKAARO Cc1cccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087156 567886530 /nfs/dbraw/zinc/88/65/30/567886530.db2.gz MSHJEUINROBTBG-QGZVFWFLSA-N 1 0 285.456 5.174 50 0 CKAARO Cc1cccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)c1 ZINC000033087157 567886521 /nfs/dbraw/zinc/88/65/21/567886521.db2.gz MSHJEUINROBTBG-KRWDZBQOSA-N 1 0 285.456 5.174 50 0 CKAARO Cc1ccc([C@H]2CCCCC[N@@H+]2Cc2cccc(C)c2)s1 ZINC000033087158 567886208 /nfs/dbraw/zinc/88/62/08/567886208.db2.gz GCWYIWLJVSAOKD-GOSISDBHSA-N 1 0 299.483 5.482 50 0 CKAARO Cc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cccc(C)c2)s1 ZINC000033087159 567886333 /nfs/dbraw/zinc/88/63/33/567886333.db2.gz GCWYIWLJVSAOKD-SFHVURJKSA-N 1 0 299.483 5.482 50 0 CKAARO Cc1ccsc1C[N@@H+]1CCCCC[C@@H]1c1cccs1 ZINC000033087250 567886511 /nfs/dbraw/zinc/88/65/11/567886511.db2.gz RJDXTIIJWMINNA-CQSZACIVSA-N 1 0 291.485 5.235 50 0 CKAARO Cc1ccsc1C[N@@H+]1CCCCC[C@H]1c1cccs1 ZINC000033087251 171770486 /nfs/dbraw/zinc/77/04/86/171770486.db2.gz RJDXTIIJWMINNA-AWEZNQCLSA-N 1 0 291.485 5.235 50 0 CKAARO Fc1ccccc1C[N@@H+]1CCCCC[C@@H]1c1cccs1 ZINC000033087272 567886441 /nfs/dbraw/zinc/88/64/41/567886441.db2.gz KDFURRHKRDQQAL-MRXNPFEDSA-N 1 0 289.419 5.005 50 0 CKAARO Fc1ccccc1C[N@@H+]1CCCCC[C@H]1c1cccs1 ZINC000033087273 567886213 /nfs/dbraw/zinc/88/62/13/567886213.db2.gz KDFURRHKRDQQAL-INIZCTEOSA-N 1 0 289.419 5.005 50 0 CKAARO CCc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087276 567886604 /nfs/dbraw/zinc/88/66/04/567886604.db2.gz AKDVLIQYMKYUTQ-GOSISDBHSA-N 1 0 299.483 5.428 50 0 CKAARO CCc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087277 567886668 /nfs/dbraw/zinc/88/66/68/567886668.db2.gz AKDVLIQYMKYUTQ-SFHVURJKSA-N 1 0 299.483 5.428 50 0 CKAARO Fc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087290 567886811 /nfs/dbraw/zinc/88/68/11/567886811.db2.gz BBWQJNQIGAWRAK-MRXNPFEDSA-N 1 0 289.419 5.005 50 0 CKAARO Fc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087291 567886673 /nfs/dbraw/zinc/88/66/73/567886673.db2.gz BBWQJNQIGAWRAK-INIZCTEOSA-N 1 0 289.419 5.005 50 0 CKAARO Cc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087316 567886802 /nfs/dbraw/zinc/88/68/02/567886802.db2.gz PMUOZLFKDIGYKD-QGZVFWFLSA-N 1 0 285.456 5.174 50 0 CKAARO Cc1ccc(C[N@@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087317 567886651 /nfs/dbraw/zinc/88/66/51/567886651.db2.gz PMUOZLFKDIGYKD-KRWDZBQOSA-N 1 0 285.456 5.174 50 0 CKAARO Cc1[nH]c(C2=C/C(=C3/[NH+]=C(C)C(C)=C3C)CCC2)c(C)c1C ZINC000033773480 567887100 /nfs/dbraw/zinc/88/71/00/567887100.db2.gz TXCNZYJXBARETF-CZIZESTLSA-N 1 0 294.442 5.572 50 0 CKAARO c1ccc([C@H]2C[C@@H](c3ccccc3)[NH2+][C@@H]2c2ccccc2)cc1 ZINC000033921814 171826414 /nfs/dbraw/zinc/82/64/14/171826414.db2.gz GUWDVBGTMKIQDY-BHIFYINESA-N 1 0 299.417 5.246 50 0 CKAARO CC(C)[C@H]([NH2+]Cc1ccc2ccccc2c1)c1cccs1 ZINC000035017329 566843776 /nfs/dbraw/zinc/84/37/76/566843776.db2.gz KWKKDSRRMIXTFA-IBGZPJMESA-N 1 0 295.451 5.388 50 0 CKAARO CC(C)[C@@H]([NH2+]Cc1ccc2ccccc2c1)c1cccs1 ZINC000035017331 566844174 /nfs/dbraw/zinc/84/41/74/566844174.db2.gz KWKKDSRRMIXTFA-LJQANCHMSA-N 1 0 295.451 5.388 50 0 CKAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]C1CCCCC1 ZINC000040729571 174388298 /nfs/dbraw/zinc/38/82/98/174388298.db2.gz AWTOBTSSCRRHGU-UHFFFAOYSA-N 1 0 297.442 5.049 50 0 CKAARO CCCCCC[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000040729632 174388258 /nfs/dbraw/zinc/38/82/58/174388258.db2.gz MGJGOOIUPWJSEU-UHFFFAOYSA-N 1 0 299.458 5.297 50 0 CKAARO CC(C)n1cc(C[NH2+]C2CCCCCC2)c2ccccc21 ZINC000045945145 175388106 /nfs/dbraw/zinc/38/81/06/175388106.db2.gz GYEDDSBPIGGWBM-UHFFFAOYSA-N 1 0 284.447 5.035 50 0 CKAARO C[C@H]([NH2+]C1c2ccccc2-c2ccccc21)c1cccs1 ZINC000055420765 567147105 /nfs/dbraw/zinc/14/71/05/567147105.db2.gz ZLCJKSYUFCREFB-ZDUSSCGKSA-N 1 0 291.419 5.169 50 0 CKAARO C[C@@H]([NH2+]C1c2ccccc2-c2ccccc21)c1cccs1 ZINC000055420770 567145962 /nfs/dbraw/zinc/14/59/62/567145962.db2.gz ZLCJKSYUFCREFB-CYBMUJFWSA-N 1 0 291.419 5.169 50 0 CKAARO CC(C)n1cc(C[NH2+][C@@H](C)c2ccccc2)c2ccccc21 ZINC000057353247 567894958 /nfs/dbraw/zinc/89/49/58/567894958.db2.gz CIHHULGWPRJBQL-INIZCTEOSA-N 1 0 292.426 5.073 50 0 CKAARO CC(C)n1cc(C[NH2+][C@H](C)c2ccccc2)c2ccccc21 ZINC000057353249 567895106 /nfs/dbraw/zinc/89/51/06/567895106.db2.gz CIHHULGWPRJBQL-MRXNPFEDSA-N 1 0 292.426 5.073 50 0 CKAARO CC(C)n1cc(C[NH2+]C2CCCCCCC2)c2ccccc21 ZINC000057353255 567894946 /nfs/dbraw/zinc/89/49/46/567894946.db2.gz ASHPVZXNVYZNKE-UHFFFAOYSA-N 1 0 298.474 5.425 50 0 CKAARO CC(C)n1cc(C[NH2+]CCC2=CCCCC2)c2ccccc21 ZINC000057353263 567895093 /nfs/dbraw/zinc/89/50/93/567895093.db2.gz HYCUCQREZYCMRA-UHFFFAOYSA-N 1 0 296.458 5.202 50 0 CKAARO CCCn1cc(C[NH2+]C2CCCCCCC2)c2ccccc21 ZINC000057353291 567895137 /nfs/dbraw/zinc/89/51/37/567895137.db2.gz HHVOJTWYUNLKMB-UHFFFAOYSA-N 1 0 298.474 5.254 50 0 CKAARO CCCn1cc(C[NH2+]CCC2=CCCCC2)c2ccccc21 ZINC000057353299 567894881 /nfs/dbraw/zinc/89/48/81/567894881.db2.gz SVWMKQGJLFENHW-UHFFFAOYSA-N 1 0 296.458 5.031 50 0 CKAARO CCCCCC[PH+](CCCCCC)CCCCCC ZINC000059439957 567896227 /nfs/dbraw/zinc/89/62/27/567896227.db2.gz FPZZZGJWXOHLDJ-UHFFFAOYSA-N 1 0 286.484 7.209 50 0 CKAARO C(=C/[NH+](Cc1ccccc1)Cc1ccccc1)\c1ccccc1 ZINC000067734481 567859438 /nfs/dbraw/zinc/85/94/38/567859438.db2.gz YLABIYTVXBHXSD-WUKNDPDISA-N 1 0 299.417 5.360 50 0 CKAARO C1CCC([PH+](C2CCCCC2)C2CCCCC2)C1 ZINC000071771938 567901993 /nfs/dbraw/zinc/90/19/93/567901993.db2.gz UTGDDKABTPFVAL-UHFFFAOYSA-N 1 0 266.409 6.076 50 0 CKAARO Cc1ccccc1[PH+](C1CCCCC1)C1CCCCC1 ZINC000071775077 567902245 /nfs/dbraw/zinc/90/22/45/567902245.db2.gz MKHYBAIPMJGEQO-UHFFFAOYSA-N 1 0 288.415 5.768 50 0 CKAARO CC(C)(C)[C@H]([NH2+]Cc1ccc(Cl)s1)c1cccs1 ZINC000072016050 176309740 /nfs/dbraw/zinc/30/97/40/176309740.db2.gz PMTQWLDWVDKKRI-CYBMUJFWSA-N 1 0 299.892 5.340 50 0 CKAARO CC(C)(C)[C@@H]([NH2+]Cc1ccc(Cl)s1)c1cccs1 ZINC000072016051 176309546 /nfs/dbraw/zinc/30/95/46/176309546.db2.gz PMTQWLDWVDKKRI-ZDUSSCGKSA-N 1 0 299.892 5.340 50 0 CKAARO [NH2+]=C(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3 ZINC000075154413 566938416 /nfs/dbraw/zinc/93/84/16/566938416.db2.gz KQXNKGZIULLKAU-UHFFFAOYSA-N 1 0 297.486 5.151 50 0 CKAARO C[NH2+][C@@H](C)c1ccc(Oc2ccccc2Cl)cc1Cl ZINC000078931963 567112187 /nfs/dbraw/zinc/11/21/87/567112187.db2.gz WCEVHKNAQOZYIT-JTQLQIEISA-N 1 0 296.197 5.066 50 0 CKAARO C[NH2+][C@H](C)c1ccc(Oc2ccccc2Cl)cc1Cl ZINC000078931970 567111881 /nfs/dbraw/zinc/11/18/81/567111881.db2.gz WCEVHKNAQOZYIT-SNVBAGLBSA-N 1 0 296.197 5.066 50 0 CKAARO C1CCC([PH+](C2CCCCC2)N2CCCCC2)CC1 ZINC000086012815 567091381 /nfs/dbraw/zinc/09/13/81/567091381.db2.gz UUNJWIUTNSWRAG-UHFFFAOYSA-N 1 0 281.424 5.535 50 0 CKAARO CC[C@@H](c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000095463551 567134839 /nfs/dbraw/zinc/13/48/39/567134839.db2.gz FAYNYYCOLVAYBW-NRFANRHFSA-N 1 0 293.454 5.092 50 0 CKAARO CC[C@H](c1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000095463552 567134566 /nfs/dbraw/zinc/13/45/66/567134566.db2.gz FAYNYYCOLVAYBW-OAQYLSRUSA-N 1 0 293.454 5.092 50 0 CKAARO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc3ccccc3[nH]2)cc1C ZINC000095986436 185056250 /nfs/dbraw/zinc/05/62/50/185056250.db2.gz RXFWRKDZISHARF-CVEARBPZSA-N 1 0 292.426 5.197 50 0 CKAARO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc3ccccc3[nH]2)cc1C ZINC000095986437 185056771 /nfs/dbraw/zinc/05/67/71/185056771.db2.gz RXFWRKDZISHARF-HOTGVXAUSA-N 1 0 292.426 5.197 50 0 CKAARO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc3ccccc3[nH]2)cc1C ZINC000095986438 185056366 /nfs/dbraw/zinc/05/63/66/185056366.db2.gz RXFWRKDZISHARF-HZPDHXFCSA-N 1 0 292.426 5.197 50 0 CKAARO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc3ccccc3[nH]2)cc1C ZINC000095986439 185056295 /nfs/dbraw/zinc/05/62/95/185056295.db2.gz RXFWRKDZISHARF-JKSUJKDBSA-N 1 0 292.426 5.197 50 0 CKAARO C[C@@H](CC(c1ccccc1)c1ccccc1)[NH+]1CCCCC1 ZINC000096026501 567136090 /nfs/dbraw/zinc/13/60/90/567136090.db2.gz AEVKYUNBJONFHN-SFHVURJKSA-N 1 0 293.454 5.083 50 0 CKAARO C[C@H](CC(c1ccccc1)c1ccccc1)[NH+]1CCCCC1 ZINC000096026502 567136311 /nfs/dbraw/zinc/13/63/11/567136311.db2.gz AEVKYUNBJONFHN-GOSISDBHSA-N 1 0 293.454 5.083 50 0 CKAARO C[C@@H](Cc1ccccc1)[NH2+]C1(c2ccccc2)CCCCC1 ZINC000096026703 567138211 /nfs/dbraw/zinc/13/82/11/567138211.db2.gz HBNZBIBSNLRUDL-SFHVURJKSA-N 1 0 293.454 5.067 50 0 CKAARO C[C@H](Cc1ccccc1)[NH2+]C1(c2ccccc2)CCCCC1 ZINC000096026704 567139019 /nfs/dbraw/zinc/13/90/19/567139019.db2.gz HBNZBIBSNLRUDL-GOSISDBHSA-N 1 0 293.454 5.067 50 0 CKAARO C1=CC([PH+](C2CCCCC2)C2CCCCC2)=CC1 ZINC000098074339 567091281 /nfs/dbraw/zinc/09/12/81/567091281.db2.gz FUFFTEXWGRBPKR-UHFFFAOYSA-N 1 0 262.377 5.978 50 0 CKAARO C1=N\CCCCCCCCCCCC/[NH+]=C\c2ccc/1cc2 ZINC000101018836 566918410 /nfs/dbraw/zinc/91/84/10/566918410.db2.gz YAYWWJSNDWCXNA-KSTNYAOJSA-N 1 0 298.474 5.439 50 0 CKAARO C(=C\[NH+](Cc1ccccc1)Cc1ccccc1)\c1ccccc1 ZINC000104227583 185936645 /nfs/dbraw/zinc/93/66/45/185936645.db2.gz YLABIYTVXBHXSD-MSUUIHNZSA-N 1 0 299.417 5.360 50 0 CKAARO c1ccc([C@H]2C[C@@H](c3ccccc3)[NH2+][C@H]2c2ccccc2)cc1 ZINC000104247518 567916613 /nfs/dbraw/zinc/91/66/13/567916613.db2.gz GUWDVBGTMKIQDY-FSSWDIPSSA-N 1 0 299.417 5.246 50 0 CKAARO Cc1ccc(C(C)(C)C[C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000244773784 526244894 /nfs/dbraw/zinc/24/48/94/526244894.db2.gz PGLKZBJSZVVTME-XJNFMUPTSA-N 1 0 291.479 5.059 50 0 CKAARO C(CC1(CCC2CCCCC2)CC[NH2+]C1)C1CCCCC1 ZINC000601013376 570234008 /nfs/dbraw/zinc/23/40/08/570234008.db2.gz LIGXACOBCBAZAX-UHFFFAOYSA-N 1 0 291.523 5.687 50 0 CKAARO