smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c1O ZINC000022023260 1013605290 /nfs/dbraw/zinc/60/52/90/1013605290.db2.gz YDARNGLHRHXDFI-KRWDZBQOSA-N 1 1 312.413 3.913 50 10 DHCAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000021720109 182286575 /nfs/dbraw/zinc/28/65/75/182286575.db2.gz FGEQSCBAZWCPMA-CQSZACIVSA-N 1 1 306.793 3.988 50 10 DHCAMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c(O)c1 ZINC000035511268 563452754 /nfs/dbraw/zinc/45/27/54/563452754.db2.gz UUDDFEAZMIWURN-MRXNPFEDSA-N 1 1 316.401 3.849 50 10 DHCAMO CCn1c[nH+]c2cc(NCc3ccc(OC)cc3OC)ccc21 ZINC000000423352 563611921 /nfs/dbraw/zinc/61/19/21/563611921.db2.gz UQGAJKDYQCRFMH-UHFFFAOYSA-N 1 1 311.385 3.686 50 10 DHCAMO CC(C)(c1ccccc1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000019313383 182114082 /nfs/dbraw/zinc/11/40/82/182114082.db2.gz XEJNMJLBMKSCBE-UHFFFAOYSA-N 1 1 311.425 3.550 50 10 DHCAMO CCc1cc2c(C)cc(=O)oc2c(C[NH+](C(C)C)C(C)C)c1O ZINC000000137924 563222693 /nfs/dbraw/zinc/22/26/93/563222693.db2.gz CVDRXFZZCVCYGN-UHFFFAOYSA-N 1 1 317.429 3.988 50 10 DHCAMO Cc1cccc(C[N@H+](CCN(C)C)Cc2ccccc2C)c1O ZINC000063869794 563485409 /nfs/dbraw/zinc/48/54/09/563485409.db2.gz JFSLDCPTXDZUJN-UHFFFAOYSA-N 1 1 312.457 3.573 50 10 DHCAMO Cc1cccc(C[N@@H+](CCN(C)C)Cc2ccccc2C)c1O ZINC000063869794 563485415 /nfs/dbraw/zinc/48/54/15/563485415.db2.gz JFSLDCPTXDZUJN-UHFFFAOYSA-N 1 1 312.457 3.573 50 10 DHCAMO C[C@H]([NH2+]Cc1ccccc1O)c1nc2ccc(Cl)cc2[nH]1 ZINC000069814294 563954840 /nfs/dbraw/zinc/95/48/40/563954840.db2.gz KMNGPURDNSZZKZ-JTQLQIEISA-N 1 1 301.777 3.773 50 10 DHCAMO O=C(c1coc2ccc(O)c(C[NH+]3CCCC3)c12)c1ccccc1 ZINC000252487851 1018983731 /nfs/dbraw/zinc/98/37/31/1018983731.db2.gz ICLUQPZHJJUODO-UHFFFAOYSA-N 1 1 321.376 3.965 50 10 DHCAMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)Cc2ccccc2O1 ZINC000012035482 1019751149 /nfs/dbraw/zinc/75/11/49/1019751149.db2.gz JVKLZQNPXYOSAE-LBPRGKRZSA-N 1 1 303.789 3.829 50 10 DHCAMO CCOc1cccc(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)c1O ZINC000012149518 1019918778 /nfs/dbraw/zinc/91/87/78/1019918778.db2.gz HLZDTVZEPZNWER-AWEZNQCLSA-N 1 1 313.397 3.574 50 10 DHCAMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](C)O2 ZINC000299765724 1023301710 /nfs/dbraw/zinc/30/17/10/1023301710.db2.gz CFSJFTYRJKZPOO-MRXNPFEDSA-N 1 1 310.441 3.844 50 10 DHCAMO Cc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000096970983 185394737 /nfs/dbraw/zinc/39/47/37/185394737.db2.gz ADNGVFVDYSBQQL-IBGZPJMESA-N 1 1 311.425 3.882 50 10 DHCAMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@@H](c2ccccc2)O1 ZINC000063126103 184271664 /nfs/dbraw/zinc/27/16/64/184271664.db2.gz VHEJBRGYNOKZLC-VFNWGFHPSA-N 1 1 323.436 3.843 50 10 DHCAMO CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/C=C1/CCC[N@@H+]1C ZINC000100269720 563591664 /nfs/dbraw/zinc/59/16/64/563591664.db2.gz HPVHJVGWOQULRG-IDMWQADZSA-N 1 1 315.804 3.598 50 10 DHCAMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@@H](c2ccccc2)O1 ZINC000229773798 563870788 /nfs/dbraw/zinc/87/07/88/563870788.db2.gz VHEJBRGYNOKZLC-BTYIYWSLSA-N 1 1 323.436 3.843 50 10 DHCAMO O=C(c1ccco1)c1coc2ccc(O)c(C[NH+]3CCCC3)c12 ZINC000252491684 563884018 /nfs/dbraw/zinc/88/40/18/563884018.db2.gz LQUYPNOFBGBRNP-UHFFFAOYSA-N 1 1 311.337 3.558 50 10 DHCAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(OC)c1O ZINC000021720944 182286276 /nfs/dbraw/zinc/28/62/76/182286276.db2.gz JYLHXOHEYJUEPH-AWEZNQCLSA-N 1 1 316.401 3.597 50 10 DHCAMO Cc1c(O)c(C[NH+]2CCCC2)cc2c3ccccc3c(=O)oc12 ZINC000013127513 563378801 /nfs/dbraw/zinc/37/88/01/563378801.db2.gz BUYYVVTZRFMHJM-UHFFFAOYSA-N 1 1 309.365 3.556 50 10 aggregator DHCAMO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)c(O)c1 ZINC000035511267 563452471 /nfs/dbraw/zinc/45/24/71/563452471.db2.gz UUDDFEAZMIWURN-INIZCTEOSA-N 1 1 316.401 3.849 50 10 DHCAMO COc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000055543049 563476624 /nfs/dbraw/zinc/47/66/24/563476624.db2.gz LDFDADHJDLSZHP-UHFFFAOYSA-N 1 1 316.832 3.671 50 10 DHCAMO COc1cccc(C[N@@H+](C)Cc2[nH]c3ccccc3c2C)c1O ZINC000067740812 563489468 /nfs/dbraw/zinc/48/94/68/563489468.db2.gz XAHCTJQBQFFGPA-UHFFFAOYSA-N 1 1 310.397 3.823 50 10 DHCAMO CCOc1cccc(C[N@@H+]2Cc3ccccc3O[C@H](C)C2)c1O ZINC000012149517 1019919314 /nfs/dbraw/zinc/91/93/14/1019919314.db2.gz HLZDTVZEPZNWER-CQSZACIVSA-N 1 1 313.397 3.574 50 10 DHCAMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000021965034 182300934 /nfs/dbraw/zinc/30/09/34/182300934.db2.gz DLOVYEMGARDRKE-LBPRGKRZSA-N 1 1 310.319 3.715 50 10 DHCAMO CCCCN1C(=O)/C(=C/C=C2/CC(C)(C)C[N@H+]2C)SC1=S ZINC000057838182 184056261 /nfs/dbraw/zinc/05/62/61/184056261.db2.gz UAAVMQTUBLHHRK-AJDRMPRJSA-N 1 1 324.515 3.776 50 10 DHCAMO CCc1cc2c(C)cc(=O)oc2c(C[NH+]2CCCCCC2)c1O ZINC000000056122 563212021 /nfs/dbraw/zinc/21/20/21/563212021.db2.gz PMPAJTZXUQQNGZ-UHFFFAOYSA-N 1 1 315.413 3.745 50 10 DHCAMO Cc1cccc([C@@H]2C[N@@H+](C)CCc3c(Cl)c(O)c(O)cc32)c1 ZINC000002511851 563305103 /nfs/dbraw/zinc/30/51/03/563305103.db2.gz JXMYTVOBSFOHAF-HNNXBMFYSA-N 1 1 317.816 3.679 50 10 in-vitro DHCAMO Cc1ccc(O)c(C[N@@H+](C)Cc2cc(-c3cccs3)n[nH]2)c1 ZINC000067871966 563492434 /nfs/dbraw/zinc/49/24/34/563492434.db2.gz QTPMGBVHJDQNHX-UHFFFAOYSA-N 1 1 313.426 3.784 50 10 DHCAMO COC(=O)c1c(C)oc2ccc(O)c(C[N@H+]3CCCC[C@H]3C)c21 ZINC000005182520 181214336 /nfs/dbraw/zinc/21/43/36/181214336.db2.gz FGHUJSZNMQGDEF-LLVKDONJSA-N 1 1 317.385 3.608 50 10 DHCAMO Cc1ccsc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000012206751 563364489 /nfs/dbraw/zinc/36/44/89/563364489.db2.gz OBOFSBKZBKENJV-OAHLLOKOSA-N 1 1 315.438 3.857 50 10 DHCAMO C[N@@H+](Cc1ccc(O)c(O)c1)Cc1ccccc1C(F)(F)F ZINC000067678489 563488941 /nfs/dbraw/zinc/48/89/41/563488941.db2.gz MWNDGVZTRYHFFL-UHFFFAOYSA-N 1 1 311.303 3.749 50 10 DHCAMO Cc1cc(C(=O)C[NH+]2CCCCC2)c(C)n1-c1ccc(F)cc1 ZINC000000038233 563508457 /nfs/dbraw/zinc/50/84/57/563508457.db2.gz RYIVINSSPOAIBA-UHFFFAOYSA-N 1 1 314.404 3.902 50 10 DHCAMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccs1)OCO2 ZINC000007143261 563904010 /nfs/dbraw/zinc/90/40/10/563904010.db2.gz IQDSRDYOOMTNAC-GFCCVEGCSA-N 1 1 303.383 3.520 50 10 DHCAMO CCc1cc([C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2O)on1 ZINC000035511257 563452445 /nfs/dbraw/zinc/45/24/45/563452445.db2.gz LJXYBBKDEWJRAB-AWEZNQCLSA-N 1 1 306.793 3.933 50 10 DHCAMO CC[C@@H](CO)[N@@H+](Cc1cccs1)Cc1cccc(C)c1O ZINC000063845591 563485265 /nfs/dbraw/zinc/48/52/65/563485265.db2.gz ZIQLGJUYLQVMIN-HNNXBMFYSA-N 1 1 305.443 3.535 50 10 DHCAMO Oc1ccccc1C[N@H+]1CCc2onc(-c3cccc(F)c3)c2C1 ZINC000067803640 563491306 /nfs/dbraw/zinc/49/13/06/563491306.db2.gz PIPKFBMCJZHRCD-UHFFFAOYSA-N 1 1 324.355 3.745 50 10 DHCAMO CCc1cc2c(C)cc(=O)oc2c(C[NH+]2CCC(C)CC2)c1O ZINC000000137927 563572817 /nfs/dbraw/zinc/57/28/17/563572817.db2.gz VNOSBRBTSMDLFT-UHFFFAOYSA-N 1 1 315.413 3.601 50 10 biogenic DHCAMO CC[C@@H]1CCCC[N@@H+]1Cc1cc2c(C)cc(=O)oc2c(C)c1O ZINC000002128459 563887475 /nfs/dbraw/zinc/88/74/75/563887475.db2.gz ZHXMXULAXFVSAG-OAHLLOKOSA-N 1 1 315.413 3.880 50 10 biogenic DHCAMO CC[C@@H]1CCCC[N@H+]1Cc1cc2c(C)cc(=O)oc2c(C)c1O ZINC000002128459 563887476 /nfs/dbraw/zinc/88/74/76/563887476.db2.gz ZHXMXULAXFVSAG-OAHLLOKOSA-N 1 1 315.413 3.880 50 10 biogenic DHCAMO COc1cccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c1O ZINC000021720568 182286328 /nfs/dbraw/zinc/28/63/28/182286328.db2.gz RWYPVBPMQMENSN-OAHLLOKOSA-N 1 1 316.401 3.849 50 10 DHCAMO COc1cccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c1O ZINC000021720568 182286330 /nfs/dbraw/zinc/28/63/30/182286330.db2.gz RWYPVBPMQMENSN-OAHLLOKOSA-N 1 1 316.401 3.849 50 10 DHCAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1cccc(OC)c1O ZINC000021720946 182286732 /nfs/dbraw/zinc/28/67/32/182286732.db2.gz JYLHXOHEYJUEPH-CQSZACIVSA-N 1 1 316.401 3.597 50 10 DHCAMO CC[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000032932632 568416479 /nfs/dbraw/zinc/41/64/79/568416479.db2.gz PCOMWONGFXAOSG-CYBMUJFWSA-N 1 1 315.413 3.628 50 10 DHCAMO Cc1c(O)c(C[NH+]2CCCCC2)cc2c3ccccc3c(=O)oc12 ZINC000013126301 181831045 /nfs/dbraw/zinc/83/10/45/181831045.db2.gz ZJXZRXHSMSOSNH-UHFFFAOYSA-N 1 1 323.392 3.946 50 10 DHCAMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c(O)c1 ZINC000021719758 182286674 /nfs/dbraw/zinc/28/66/74/182286674.db2.gz DJEFCCIALOXIBG-MRXNPFEDSA-N 1 1 316.401 3.849 50 10 DHCAMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c(O)c1 ZINC000021719758 182286675 /nfs/dbraw/zinc/28/66/75/182286675.db2.gz DJEFCCIALOXIBG-MRXNPFEDSA-N 1 1 316.401 3.849 50 10 DHCAMO C[NH+](C)Cc1c2onc(Cc3ccc(Cl)cc3)c2ccc1O ZINC000023127138 182349513 /nfs/dbraw/zinc/34/95/13/182349513.db2.gz KIXCVUBYJLTICZ-UHFFFAOYSA-N 1 1 316.788 3.839 50 10 DHCAMO Cc1ccc(C(=O)c2coc3ccc(O)c(C[NH+](C)C)c23)cc1 ZINC000000054916 563212033 /nfs/dbraw/zinc/21/20/33/563212033.db2.gz OPNNDCHFXRXAHC-UHFFFAOYSA-N 1 1 309.365 3.739 50 10 DHCAMO Cn1c[nH+]c2cc(NCc3cccc(Br)c3)ccc21 ZINC000000423346 563252749 /nfs/dbraw/zinc/25/27/49/563252749.db2.gz PKYAXJFERZYKBV-UHFFFAOYSA-N 1 1 316.202 3.948 50 10 DHCAMO COc1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c(O)c1 ZINC000000757225 563271787 /nfs/dbraw/zinc/27/17/87/563271787.db2.gz KPRFCHHQEVLEKF-UHFFFAOYSA-N 1 1 313.372 3.829 50 10 DHCAMO COc1cccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)c1O ZINC000064984504 563486696 /nfs/dbraw/zinc/48/66/96/563486696.db2.gz MMALUPRLGKJQDD-HNNXBMFYSA-N 1 1 316.401 3.849 50 10 DHCAMO Oc1ccccc1C[N@H+]1CCC[C@@H](Nc2cccc(F)c2)C1 ZINC000015073193 563406742 /nfs/dbraw/zinc/40/67/42/563406742.db2.gz PGLFJMMAGOSMBA-QGZVFWFLSA-N 1 1 300.377 3.608 50 10 DHCAMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](C)O2 ZINC000299765722 1023300935 /nfs/dbraw/zinc/30/09/35/1023300935.db2.gz CFSJFTYRJKZPOO-INIZCTEOSA-N 1 1 310.441 3.844 50 10 DHCAMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cc(C)c(C)cc1O)C2 ZINC000040155857 183040603 /nfs/dbraw/zinc/04/06/03/183040603.db2.gz OJCPIAPSRHUVPV-UHFFFAOYSA-N 1 1 324.424 3.526 50 10 DHCAMO COCC[N@@H+](Cc1sccc1C)Cc1cc(F)ccc1O ZINC000055392857 563475268 /nfs/dbraw/zinc/47/52/68/563475268.db2.gz OHIRVZQFKQJTIL-UHFFFAOYSA-N 1 1 309.406 3.550 50 10 DHCAMO C[N@H+]1CCC/C1=C/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000004506926 181116983 /nfs/dbraw/zinc/11/69/83/181116983.db2.gz LJMHBXWVMRGNDI-DCKTUCEMSA-N 1 1 316.451 3.545 50 10 DHCAMO COc1cccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)c1O ZINC000021720570 182286090 /nfs/dbraw/zinc/28/60/90/182286090.db2.gz RWYPVBPMQMENSN-HNNXBMFYSA-N 1 1 316.401 3.849 50 10 DHCAMO COc1cccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)c1O ZINC000021720570 182286093 /nfs/dbraw/zinc/28/60/93/182286093.db2.gz RWYPVBPMQMENSN-HNNXBMFYSA-N 1 1 316.401 3.849 50 10 DHCAMO C[C@H]1C[N@@H+](Cc2ccccc2O)Cc2cc(Cl)ccc2O1 ZINC000012450831 563369709 /nfs/dbraw/zinc/36/97/09/563369709.db2.gz PFOZERSECKHHIJ-LBPRGKRZSA-N 1 1 303.789 3.829 50 10 DHCAMO Nc1ccc(N=Nc2ccc3[nH]c4ncccc4c3c2)c(N)[nH+]1 ZINC000006995820 568414163 /nfs/dbraw/zinc/41/41/63/568414163.db2.gz ZOZLTAKFCOZVFQ-UHFFFAOYSA-N 1 1 303.329 3.691 50 10 DHCAMO Oc1ccc(Br)cc1C[N@H+]1CCc2ccccc2C1 ZINC000023281656 563434350 /nfs/dbraw/zinc/43/43/50/563434350.db2.gz ZGAFVYVCEKQUAZ-UHFFFAOYSA-N 1 1 318.214 3.713 50 10 DHCAMO C[N@@H+](Cc1ccccc1)Cc1cc(Br)ccc1O ZINC000016663052 182056716 /nfs/dbraw/zinc/05/67/16/182056716.db2.gz FWJKXZZKTXXLBA-UHFFFAOYSA-N 1 1 306.203 3.787 50 10 DHCAMO CCn1c[nH+]c2cc(NCc3ccc(OC)c(OC)c3)ccc21 ZINC000000423357 563612123 /nfs/dbraw/zinc/61/21/23/563612123.db2.gz PYPDPHLWBSFGBH-UHFFFAOYSA-N 1 1 311.385 3.686 50 10 DHCAMO C[C@@H]([NH2+]Cc1ccccc1O)c1nc2ccc(Cl)cc2[nH]1 ZINC000069814295 563954697 /nfs/dbraw/zinc/95/46/97/563954697.db2.gz KMNGPURDNSZZKZ-SNVBAGLBSA-N 1 1 301.777 3.773 50 10 DHCAMO CCCCCc1nc(Cc2ccc(N)cc2)n(-c2cc[nH+]cc2)n1 ZINC000822858945 1020368318 /nfs/dbraw/zinc/36/83/18/1020368318.db2.gz FOWZFBGMOGTAGV-UHFFFAOYSA-N 1 1 321.428 3.568 50 10 DHCAMO CCCN1CCCc2cc(CNCCC[NH+](CC)CC)ccc21 ZINC000045796183 563465736 /nfs/dbraw/zinc/46/57/36/563465736.db2.gz QZSIMSPRGWRVGU-UHFFFAOYSA-N 1 1 317.521 3.671 50 10 DHCAMO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1cccc(C)c1O ZINC000055131958 563471931 /nfs/dbraw/zinc/47/19/31/563471931.db2.gz DBNQVMSTHCGULK-MRXNPFEDSA-N 1 1 305.443 3.535 50 10 DHCAMO Oc1ccccc1C[N@H+]1CCc2onc(-c3ccccc3F)c2C1 ZINC000067673074 563488987 /nfs/dbraw/zinc/48/89/87/563488987.db2.gz ZDFKWIXYSZLLLT-UHFFFAOYSA-N 1 1 324.355 3.745 50 10 DHCAMO CCCn1c[nH+]c2cc(NCc3cccc(OC)c3O)ccc21 ZINC000002242405 563920768 /nfs/dbraw/zinc/92/07/68/563920768.db2.gz LTVSJAQANUCADC-UHFFFAOYSA-N 1 1 311.385 3.773 50 10 DHCAMO Cc1ccc(O)c(C[N@@H+](C)Cc2cc(-c3ccccc3)no2)c1 ZINC000065525575 184359894 /nfs/dbraw/zinc/35/98/94/184359894.db2.gz YAYJUTKXHQISPZ-UHFFFAOYSA-N 1 1 308.381 3.988 50 10 DHCAMO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1cccc(C)c1O ZINC000055131955 563471724 /nfs/dbraw/zinc/47/17/24/563471724.db2.gz DBNQVMSTHCGULK-INIZCTEOSA-N 1 1 305.443 3.535 50 10 DHCAMO COc1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000055543822 563476249 /nfs/dbraw/zinc/47/62/49/563476249.db2.gz VOBVNWNWVMCRTA-UHFFFAOYSA-N 1 1 316.832 3.671 50 10 DHCAMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccs1)OCO2 ZINC000007143258 563904005 /nfs/dbraw/zinc/90/40/05/563904005.db2.gz IQDSRDYOOMTNAC-LBPRGKRZSA-N 1 1 303.383 3.520 50 10 DHCAMO Oc1ccc(Cl)cc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000004980885 181183797 /nfs/dbraw/zinc/18/37/97/181183797.db2.gz WUZLYTLYUOYDFM-UHFFFAOYSA-N 1 1 320.795 3.507 50 10 DHCAMO C[N@H+](Cc1ccon1)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC000011880866 563359626 /nfs/dbraw/zinc/35/96/26/563359626.db2.gz BPHRHJIAXOSXHY-UHFFFAOYSA-N 1 1 312.344 3.818 50 10 DHCAMO CC(C)(C)c1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1O ZINC000067908217 563493572 /nfs/dbraw/zinc/49/35/72/563493572.db2.gz SDVJIBBEKIQWAT-JXFKEZNVSA-N 1 1 317.473 3.817 50 10 DHCAMO Cc1c(C)c(=O)oc2c(C)c(O)c(C[NH+]3CCCCCC3)cc12 ZINC000002130752 563915497 /nfs/dbraw/zinc/91/54/97/563915497.db2.gz YXEMXTOIFXHZOM-UHFFFAOYSA-N 1 1 315.413 3.800 50 10 biogenic DHCAMO CC(C)(C)c1cc(C[N@H+]2CCC[C@@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000004988861 181186173 /nfs/dbraw/zinc/18/61/73/181186173.db2.gz HGRBTDSPWFDKLU-MRXNPFEDSA-N 1 1 319.489 3.944 50 10 DHCAMO CC[NH+](CC)Cc1cc2c3ccccc3c(=O)oc2c(C)c1O ZINC000005047126 181195942 /nfs/dbraw/zinc/19/59/42/181195942.db2.gz VTALRBKAKGIDJZ-UHFFFAOYSA-N 1 1 311.381 3.802 50 10 DHCAMO Cc1cc(C[NH+]2CCOCC2)c(O)c(C2(C)CCCCC2)c1 ZINC000019856804 182156945 /nfs/dbraw/zinc/15/69/45/182156945.db2.gz ICNFHQZEUSSPJI-UHFFFAOYSA-N 1 1 303.446 3.755 50 10 DHCAMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2c(C)noc2C)c1O ZINC000021720401 182285803 /nfs/dbraw/zinc/28/58/03/182285803.db2.gz RTXAHXOYEQSGMY-OAHLLOKOSA-N 1 1 316.401 3.733 50 10 DHCAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000021720781 182286191 /nfs/dbraw/zinc/28/61/91/182286191.db2.gz XXZNZVIMIKCQSY-QGZVFWFLSA-N 1 1 313.445 3.949 50 10 DHCAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000021720779 182286335 /nfs/dbraw/zinc/28/63/35/182286335.db2.gz XXZNZVIMIKCQSY-KRWDZBQOSA-N 1 1 313.445 3.949 50 10 DHCAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1ccc(OC)cc1O ZINC000021720745 182286478 /nfs/dbraw/zinc/28/64/78/182286478.db2.gz LZHHDSRLLZMIDA-OAHLLOKOSA-N 1 1 316.401 3.597 50 10 DHCAMO CC[N@@H+](CC(=O)NC(C)(C)C)Cc1cc(C(C)C)c(C)cc1O ZINC000012883446 563374341 /nfs/dbraw/zinc/37/43/41/563374341.db2.gz CAMPIFRAUOZWEM-UHFFFAOYSA-N 1 1 320.477 3.561 50 10 DHCAMO Oc1ccccc1C[N@H+]1CCC[C@H](Nc2cccc(F)c2)C1 ZINC000015073194 563406777 /nfs/dbraw/zinc/40/67/77/563406777.db2.gz PGLFJMMAGOSMBA-KRWDZBQOSA-N 1 1 300.377 3.608 50 10 DHCAMO CCc1cc([C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2O)on1 ZINC000035511258 563452650 /nfs/dbraw/zinc/45/26/50/563452650.db2.gz LJXYBBKDEWJRAB-CQSZACIVSA-N 1 1 306.793 3.933 50 10 DHCAMO CCn1c[nH+]c2cc(NCc3cccc(OC)c3OC)ccc21 ZINC000000423355 563611901 /nfs/dbraw/zinc/61/19/01/563611901.db2.gz XZYUTHUIZNPACI-UHFFFAOYSA-N 1 1 311.385 3.686 50 10 DHCAMO COc1ccc(C[NH2+]Cc2cc3ccccc3[nH]2)cc1CN(C)C ZINC000952989218 1032687007 /nfs/dbraw/zinc/68/70/07/1032687007.db2.gz QDTSMWJGMCKUPZ-UHFFFAOYSA-N 1 1 323.440 3.528 50 10 DHCAMO Cc1cccc([C@H]2C[N@@H+](C)CCc3c(Cl)c(O)c(O)cc32)c1 ZINC000003996039 181060764 /nfs/dbraw/zinc/06/07/64/181060764.db2.gz JXMYTVOBSFOHAF-OAHLLOKOSA-N 1 1 317.816 3.679 50 10 in-vitro DHCAMO CCCc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)no1 ZINC000021720572 182286396 /nfs/dbraw/zinc/28/63/96/182286396.db2.gz DYCYTSRKJQFAJC-INIZCTEOSA-N 1 1 316.401 3.678 50 10 DHCAMO CCCc1cc([C@@H]2CCC[N@H+]2Cc2cccc(OC)c2O)no1 ZINC000021720572 182286400 /nfs/dbraw/zinc/28/64/00/182286400.db2.gz DYCYTSRKJQFAJC-INIZCTEOSA-N 1 1 316.401 3.678 50 10 DHCAMO CC(C)(C)c1cc(C[N@H+]2CCC[C@@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000004985585 563450334 /nfs/dbraw/zinc/45/03/34/563450334.db2.gz LKYZMAVPNFAOTJ-MRXNPFEDSA-N 1 1 319.489 3.944 50 10 DHCAMO CC[C@H](CO)[N@@H+](Cc1cccs1)Cc1cccc(C)c1O ZINC000063845593 563485320 /nfs/dbraw/zinc/48/53/20/563485320.db2.gz ZIQLGJUYLQVMIN-OAHLLOKOSA-N 1 1 305.443 3.535 50 10 DHCAMO C[NH+](C)Cc1c2c(ccc1O)occ2C(=O)c1ccc(F)cc1 ZINC000000520221 568414597 /nfs/dbraw/zinc/41/45/97/568414597.db2.gz NQMAAEGVAYTWRH-UHFFFAOYSA-N 1 1 313.328 3.570 50 10 DHCAMO Cc1cc(C(=O)Cn2cc[nH+]c2C)c(C)n1-c1ccccc1C ZINC000095444427 185367046 /nfs/dbraw/zinc/36/70/46/185367046.db2.gz SZVJDJQYNJRVLL-UHFFFAOYSA-N 1 1 307.397 3.790 50 10 DHCAMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000021965030 182301195 /nfs/dbraw/zinc/30/11/95/182301195.db2.gz DLOVYEMGARDRKE-GFCCVEGCSA-N 1 1 310.319 3.715 50 10 DHCAMO COc1ccc(OC)c(-c2ccc(O)c(C[N@@H+](C)C(C)C)c2)c1 ZINC000014879422 563403482 /nfs/dbraw/zinc/40/34/82/563403482.db2.gz KFFMZMSACGJXLQ-UHFFFAOYSA-N 1 1 315.413 3.917 50 10 DHCAMO C[N@@H+](Cc1ccsc1)Cc1cc(-c2ncccn2)ccc1O ZINC000014879081 563679379 /nfs/dbraw/zinc/67/93/79/563679379.db2.gz SIVACMFAOVFFSW-UHFFFAOYSA-N 1 1 311.410 3.543 50 10 DHCAMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@H](c2ccccc2)O1 ZINC000084714177 563829696 /nfs/dbraw/zinc/82/96/96/563829696.db2.gz VHEJBRGYNOKZLC-YCRPNKLZSA-N 1 1 323.436 3.843 50 10 DHCAMO Cc1cc(=O)oc2c(C)c(O)c(C[N@H+](C)Cc3ccccc3)cc12 ZINC000002130878 563915431 /nfs/dbraw/zinc/91/54/31/563915431.db2.gz RUXKGCNDQRGTJA-UHFFFAOYSA-N 1 1 323.392 3.747 50 10 biogenic DHCAMO Cc1cc(=O)oc2c(C)c(O)c(C[N@@H+](C)Cc3ccccc3)cc12 ZINC000002130878 563915432 /nfs/dbraw/zinc/91/54/32/563915432.db2.gz RUXKGCNDQRGTJA-UHFFFAOYSA-N 1 1 323.392 3.747 50 10 biogenic DHCAMO Cc1cc(C)c2nc(NC3=[NH+]C(C)(C)C=C(C)N3)nc(C)c2c1 ZINC000000267825 563234919 /nfs/dbraw/zinc/23/49/19/563234919.db2.gz NXZXRPKKYIPBNO-UHFFFAOYSA-N 1 1 309.417 3.609 50 10 DHCAMO Oc1ccc2[nH]c(-c3ccccc3)nc2c1C[NH+]1CCCCC1 ZINC000001260963 563280826 /nfs/dbraw/zinc/28/08/26/563280826.db2.gz FVHKIGHCUWTXCC-UHFFFAOYSA-N 1 1 307.397 3.921 50 10 DHCAMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)C[C@H](c2ccccc2)O1 ZINC000084714175 563829966 /nfs/dbraw/zinc/82/99/66/563829966.db2.gz VHEJBRGYNOKZLC-QVKFZJNVSA-N 1 1 323.436 3.843 50 10 DHCAMO Cc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000096970984 185394724 /nfs/dbraw/zinc/39/47/24/185394724.db2.gz ADNGVFVDYSBQQL-LJQANCHMSA-N 1 1 311.425 3.882 50 10 DHCAMO COC(=O)c1c(C)oc2ccc(O)c(C[N@H+]3CCCC[C@@H]3C)c21 ZINC000005182517 181214326 /nfs/dbraw/zinc/21/43/26/181214326.db2.gz FGHUJSZNMQGDEF-NSHDSACASA-N 1 1 317.385 3.608 50 10 DHCAMO Cn1c[nH+]c2cc(NCc3ccc(Br)cc3)ccc21 ZINC000000103895 563217355 /nfs/dbraw/zinc/21/73/55/563217355.db2.gz PHLQCNNYBOPXQJ-UHFFFAOYSA-N 1 1 316.202 3.948 50 10 DHCAMO COc1ccc(C[N@@H+](C)Cc2cc3c(cc2O)CCC3)cc1F ZINC000032719965 563383230 /nfs/dbraw/zinc/38/32/30/563383230.db2.gz IJCQKESXBHKIBQ-UHFFFAOYSA-N 1 1 315.388 3.661 50 10 DHCAMO Oc1ccc2ccccc2c1C[NH+]1CCN(C2CCCC2)CC1 ZINC000026627371 568416657 /nfs/dbraw/zinc/41/66/57/568416657.db2.gz SHJJAWZIJYKQOI-UHFFFAOYSA-N 1 1 310.441 3.606 50 10 DHCAMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)Cc2ccccc2O1 ZINC000012035479 1019752544 /nfs/dbraw/zinc/75/25/44/1019752544.db2.gz JVKLZQNPXYOSAE-GFCCVEGCSA-N 1 1 303.789 3.829 50 10 DHCAMO CCCc1cc(=O)oc2c(C)c(O)c(C[NH+]3CCCCC3)cc12 ZINC000005046936 181196224 /nfs/dbraw/zinc/19/62/24/181196224.db2.gz RIHIRGREKWFSBY-UHFFFAOYSA-N 1 1 315.413 3.745 50 10 DHCAMO Cc1cc([C@H]2CCC[N@H+]2Cc2c(O)ccc3ccncc32)on1 ZINC000040555902 183102158 /nfs/dbraw/zinc/10/21/58/183102158.db2.gz OGJUHXOTBHFMTB-MRXNPFEDSA-N 1 1 309.369 3.574 50 10 DHCAMO Cc1ccc(O)c(C[N@@H+](C)Cc2ccc(-n3cccn3)cc2)c1 ZINC000065470583 184350735 /nfs/dbraw/zinc/35/07/35/184350735.db2.gz LHCXKUBLNSPZDC-UHFFFAOYSA-N 1 1 307.397 3.518 50 10 DHCAMO Cc1cc(C(=O)C[NH+]2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000000038235 563211331 /nfs/dbraw/zinc/21/13/31/563211331.db2.gz JUWDSDKJBMFLHE-UHFFFAOYSA-N 1 1 300.377 3.512 50 10 in-vitro DHCAMO CCOc1ccc(CNc2ccc3c(c2)[nH+]cn3C)cc1OC ZINC000004624595 563477990 /nfs/dbraw/zinc/47/79/90/563477990.db2.gz OQNRWEDKUSXTKD-UHFFFAOYSA-N 1 1 311.385 3.593 50 10 DHCAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000021720107 182285749 /nfs/dbraw/zinc/28/57/49/182285749.db2.gz FGEQSCBAZWCPMA-AWEZNQCLSA-N 1 1 306.793 3.988 50 10 DHCAMO Cc1ccsc1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000012206757 563364433 /nfs/dbraw/zinc/36/44/33/563364433.db2.gz OBOFSBKZBKENJV-HNNXBMFYSA-N 1 1 315.438 3.857 50 10 DHCAMO COc1ccc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)cc1F ZINC000012799102 563373928 /nfs/dbraw/zinc/37/39/28/563373928.db2.gz MCXGCBMDUUPZDS-UHFFFAOYSA-N 1 1 303.377 3.789 50 10 DHCAMO CCC[N@H+](Cc1cccc(F)c1O)Cc1ccccc1OC ZINC000055414076 563475729 /nfs/dbraw/zinc/47/57/29/563475729.db2.gz QRXIYCGHEIWFFR-UHFFFAOYSA-N 1 1 303.377 3.952 50 10 DHCAMO CCC[N@@H+](Cc1cccc(F)c1O)Cc1ccccc1OC ZINC000055414076 563475731 /nfs/dbraw/zinc/47/57/31/563475731.db2.gz QRXIYCGHEIWFFR-UHFFFAOYSA-N 1 1 303.377 3.952 50 10 DHCAMO Cc1c(O)c(C[NH+](C)C)cc2c(-c3ccccc3)cc(=O)oc12 ZINC000000116903 563570741 /nfs/dbraw/zinc/57/07/41/563570741.db2.gz BOCRAGMDMVAGKR-UHFFFAOYSA-N 1 1 309.365 3.536 50 10 DHCAMO Cc1cc([C@@H]2CCC[N@H+]2Cc2c(O)ccc3ccncc32)on1 ZINC000040555900 183102368 /nfs/dbraw/zinc/10/23/68/183102368.db2.gz OGJUHXOTBHFMTB-INIZCTEOSA-N 1 1 309.369 3.574 50 10 DHCAMO CC(C)(C)c1cc(C[N@H+]2CCC[C@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000004985589 563450325 /nfs/dbraw/zinc/45/03/25/563450325.db2.gz LKYZMAVPNFAOTJ-INIZCTEOSA-N 1 1 319.489 3.944 50 10 DHCAMO Oc1ccc(Br)cc1CNc1[nH]c2ccccc2[nH+]1 ZINC000000111412 563570992 /nfs/dbraw/zinc/57/09/92/563570992.db2.gz CRRYESIQBMIMNT-UHFFFAOYSA-N 1 1 318.174 3.643 50 10 DHCAMO CCOc1cccc(C[N@H+]2CCCC[C@@H]2c2cccnc2)c1O ZINC000022023259 1013606162 /nfs/dbraw/zinc/60/61/62/1013606162.db2.gz YDARNGLHRHXDFI-QGZVFWFLSA-N 1 1 312.413 3.913 50 10 DHCAMO CCc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2O)cc1 ZINC000095446132 185367544 /nfs/dbraw/zinc/36/75/44/185367544.db2.gz MKMIREGFOILJTB-UHFFFAOYSA-N 1 1 315.413 3.604 50 10 DHCAMO c1ccc2c(c1)[nH+]c1ccccc1c2NCCCN1CCOCC1 ZINC000004041597 181065589 /nfs/dbraw/zinc/06/55/89/181065589.db2.gz FCCDGCQYPHQHNP-UHFFFAOYSA-N 1 1 321.424 3.522 50 10 DHCAMO CC(C)(C)c1cc(C[N@H+]2CCC[C@H](O)C2)c(O)c(C(C)(C)C)c1 ZINC000004988860 181185820 /nfs/dbraw/zinc/18/58/20/181185820.db2.gz HGRBTDSPWFDKLU-INIZCTEOSA-N 1 1 319.489 3.944 50 10 DHCAMO C[N@H+]1CCC/C1=C\C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000005660029 181268552 /nfs/dbraw/zinc/26/85/52/181268552.db2.gz LJMHBXWVMRGNDI-USTLKGCXSA-N 1 1 316.451 3.545 50 10 DHCAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(OC)cc1O ZINC000021720743 182286069 /nfs/dbraw/zinc/28/60/69/182286069.db2.gz LZHHDSRLLZMIDA-HNNXBMFYSA-N 1 1 316.401 3.597 50 10 DHCAMO CCCc1cc([C@H]2CCC[N@@H+]2Cc2cccc(OC)c2O)no1 ZINC000021720574 182286176 /nfs/dbraw/zinc/28/61/76/182286176.db2.gz DYCYTSRKJQFAJC-MRXNPFEDSA-N 1 1 316.401 3.678 50 10 DHCAMO CCCc1cc([C@H]2CCC[N@H+]2Cc2cccc(OC)c2O)no1 ZINC000021720574 182286178 /nfs/dbraw/zinc/28/61/78/182286178.db2.gz DYCYTSRKJQFAJC-MRXNPFEDSA-N 1 1 316.401 3.678 50 10 DHCAMO Cc1cccc(C[NH+]2CCN(Cc3cc(C)c(C)cc3O)CC2)c1 ZINC000022815663 182335820 /nfs/dbraw/zinc/33/58/20/182335820.db2.gz GIFYHONCWKLCLQ-UHFFFAOYSA-N 1 1 324.468 3.635 50 10 DHCAMO C[C@@H]1C[N@@H+](Cc2ccccc2O)Cc2cc(Cl)ccc2O1 ZINC000012450829 563369542 /nfs/dbraw/zinc/36/95/42/563369542.db2.gz PFOZERSECKHHIJ-GFCCVEGCSA-N 1 1 303.789 3.829 50 10 DHCAMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2cc(CC)no2)c1O ZINC000064984402 563486895 /nfs/dbraw/zinc/48/68/95/563486895.db2.gz JPIOEJBRLHKAQP-HNNXBMFYSA-N 1 1 316.401 3.678 50 10 DHCAMO Cc1ccc(O)c(C[N@@H+](C)Cc2c[nH]nc2-c2ccccc2)c1 ZINC000067675833 563488456 /nfs/dbraw/zinc/48/84/56/563488456.db2.gz LGLZIMIORIHHRS-UHFFFAOYSA-N 1 1 307.397 3.723 50 10 DHCAMO Cc1ccc(O)c(C[N@@H+](C)CCc2nc3c(cccc3C)[nH]2)c1 ZINC000067723907 563489393 /nfs/dbraw/zinc/48/93/93/563489393.db2.gz XWEBECSGIMBJEP-UHFFFAOYSA-N 1 1 309.413 3.560 50 10 DHCAMO Cc1ccc(O)c(C[N@H+](C)CCc2nc3cccc(C)c3[nH]2)c1 ZINC000067723907 563489396 /nfs/dbraw/zinc/48/93/96/563489396.db2.gz XWEBECSGIMBJEP-UHFFFAOYSA-N 1 1 309.413 3.560 50 10 DHCAMO Cc1ccc(O)c(C[N@@H+](C)CCc2nc3cccc(C)c3[nH]2)c1 ZINC000067723907 563489399 /nfs/dbraw/zinc/48/93/99/563489399.db2.gz XWEBECSGIMBJEP-UHFFFAOYSA-N 1 1 309.413 3.560 50 10 DHCAMO Cc1c(C)c(=O)oc2c(C)c(O)c(C[NH+]3CCC(C)CC3)cc12 ZINC000002131903 563915515 /nfs/dbraw/zinc/91/55/15/563915515.db2.gz SITNFQMQLXAIEH-UHFFFAOYSA-N 1 1 315.413 3.656 50 10 biogenic DHCAMO CC[N@@H+](Cc1ccc(COC)cc1)Cc1ccc(N(C)C)cc1 ZINC000095453783 185369354 /nfs/dbraw/zinc/36/93/54/185369354.db2.gz CXGBXOSKUSWZTJ-UHFFFAOYSA-N 1 1 312.457 3.921 50 10 DHCAMO Cc1nn(C)cc1C[N@@H+](Cc1ccccc1O)C1CCCCC1 ZINC000095453775 185369591 /nfs/dbraw/zinc/36/95/91/185369591.db2.gz BIERYYLCQIPMKV-UHFFFAOYSA-N 1 1 313.445 3.769 50 10 DHCAMO CCOc1cccc(C[N@H+]2CCC[C@@H]2c2cc(CC)no2)c1O ZINC000064984403 190706669 /nfs/dbraw/zinc/70/66/69/190706669.db2.gz JPIOEJBRLHKAQP-OAHLLOKOSA-N 1 1 316.401 3.678 50 10 DHCAMO CC(C)(C)c1cc(C[NH+]2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000019335159 182116874 /nfs/dbraw/zinc/11/68/74/182116874.db2.gz QPLNQRFMNAATOG-UHFFFAOYSA-N 1 1 305.462 3.819 50 10 DHCAMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2c(C)noc2C)c1O ZINC000021720403 182286728 /nfs/dbraw/zinc/28/67/28/182286728.db2.gz RTXAHXOYEQSGMY-HNNXBMFYSA-N 1 1 316.401 3.733 50 10 DHCAMO COc1cccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c1O ZINC000064984506 563486644 /nfs/dbraw/zinc/48/66/44/563486644.db2.gz MMALUPRLGKJQDD-OAHLLOKOSA-N 1 1 316.401 3.849 50 10 DHCAMO CC[C@H]1CCCC[N@@H+]1Cc1cc2c(C)cc(=O)oc2c(C)c1O ZINC000002128458 563887112 /nfs/dbraw/zinc/88/71/12/563887112.db2.gz ZHXMXULAXFVSAG-HNNXBMFYSA-N 1 1 315.413 3.880 50 10 biogenic DHCAMO CC[C@H]1CCCC[N@H+]1Cc1cc2c(C)cc(=O)oc2c(C)c1O ZINC000002128458 563887114 /nfs/dbraw/zinc/88/71/14/563887114.db2.gz ZHXMXULAXFVSAG-HNNXBMFYSA-N 1 1 315.413 3.880 50 10 biogenic DHCAMO CCc1nnc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)o1 ZINC000069329031 563952352 /nfs/dbraw/zinc/95/23/52/563952352.db2.gz DCZQMYJLEITCRH-UHFFFAOYSA-N 1 1 315.417 3.673 50 10 DHCAMO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)c(O)c1 ZINC000021719760 182286222 /nfs/dbraw/zinc/28/62/22/182286222.db2.gz DJEFCCIALOXIBG-INIZCTEOSA-N 1 1 316.401 3.849 50 10 DHCAMO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)c(O)c1 ZINC000021719760 182286224 /nfs/dbraw/zinc/28/62/24/182286224.db2.gz DJEFCCIALOXIBG-INIZCTEOSA-N 1 1 316.401 3.849 50 10 DHCAMO