smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CN2CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C2)c(O)c1 ZINC000022919319 202095441 /nfs/dbraw/zinc/09/54/41/202095441.db2.gz AEPZNFBHDLINQX-INIZCTEOSA-N 1 1 336.476 2.316 50 10 EECAMO COc1ccc(O)c(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000005010342 462643981 /nfs/dbraw/zinc/64/39/81/462643981.db2.gz ZWGCJKIISVIQFG-KGLIPLIRSA-N 1 1 326.396 2.182 50 10 EECAMO COc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(O)c1 ZINC000005010310 462644282 /nfs/dbraw/zinc/64/42/82/462644282.db2.gz XTHWRCOKGCXENW-HIFRSBDPSA-N 1 1 326.396 2.182 50 10 EECAMO CC1=NN(c2ccccc2)C(=O)C1=CNNc1[nH+]ncc2ccccc21 ZINC000102915192 463392323 /nfs/dbraw/zinc/39/23/23/463392323.db2.gz YALAISJDIXLSTN-SFQUDFHCSA-N 1 1 344.378 2.275 50 10 EECAMO COc1ccc(O)c(C[N@H+]2CCN(CC=C(C)C)[C@H](CCO)C2)c1 ZINC000104477221 463415078 /nfs/dbraw/zinc/41/50/78/463415078.db2.gz DUVDNPNDGSAEHD-QGZVFWFLSA-N 1 1 334.460 2.236 50 10 EECAMO COc1ccc(O)c(CN2CC[N@H+](CC=C(C)C)[C@H](CCO)C2)c1 ZINC000104477221 463415082 /nfs/dbraw/zinc/41/50/82/463415082.db2.gz DUVDNPNDGSAEHD-QGZVFWFLSA-N 1 1 334.460 2.236 50 10 EECAMO COc1ccc(O)c(CN2CC[N@@H+](CC=C(C)C)[C@H](CCO)C2)c1 ZINC000104477221 463415085 /nfs/dbraw/zinc/41/50/85/463415085.db2.gz DUVDNPNDGSAEHD-QGZVFWFLSA-N 1 1 334.460 2.236 50 10 EECAMO COc1cccc(O)c1C[NH+]1CCN(c2ncc(Cl)cn2)CC1 ZINC000065376227 274148394 /nfs/dbraw/zinc/14/83/94/274148394.db2.gz RROAKAGZFJQIMX-UHFFFAOYSA-N 1 1 334.807 2.166 50 10 EECAMO Cc1nc(CN2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)cs1 ZINC000030002889 463285004 /nfs/dbraw/zinc/28/50/04/463285004.db2.gz OGVOXYPEFJZCIS-UHFFFAOYSA-N 1 1 347.440 2.204 50 10 EECAMO CCOc1cccc(CN2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)c1O ZINC000019788848 212066356 /nfs/dbraw/zinc/06/63/56/212066356.db2.gz JGBDKMSVLMXOBO-KRWDZBQOSA-N 1 1 336.476 2.316 50 10 EECAMO COC(=O)c1cc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)oc1C ZINC000028793170 463232941 /nfs/dbraw/zinc/23/29/41/463232941.db2.gz LWYISMDZEOEWRU-UHFFFAOYSA-N 1 1 333.340 2.441 50 10 EECAMO COC(=O)c1cc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)oc1C ZINC000028793170 463232947 /nfs/dbraw/zinc/23/29/47/463232947.db2.gz LWYISMDZEOEWRU-UHFFFAOYSA-N 1 1 333.340 2.441 50 10 EECAMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CN(C)C(=O)C3)ccc1N1CCCC1 ZINC000067910194 215248979 /nfs/dbraw/zinc/24/89/79/215248979.db2.gz CAQIGGCLENLVOB-SJORKVTESA-N 1 1 343.471 2.491 50 10 EECAMO COc1ccc(O)c(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)c1 ZINC000039466822 213238255 /nfs/dbraw/zinc/23/82/55/213238255.db2.gz JJCAFPCGUMJGQR-QGZVFWFLSA-N 1 1 334.460 2.212 50 10 EECAMO COc1c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c(C)nn1C ZINC000058391345 135612011 /nfs/dbraw/zinc/61/20/11/135612011.db2.gz DOWHCHLJWXCSTQ-UHFFFAOYSA-N 1 1 348.422 2.003 50 10 EECAMO O[C@@]1(CNCc2ccc3c(c2)CCCO3)CCC[N@H+]2CCCC[C@@H]21 ZINC000063855377 462678695 /nfs/dbraw/zinc/67/86/95/462678695.db2.gz GODCAQKAFYHVBL-WOJBJXKFSA-N 1 1 330.472 2.481 50 10 EECAMO COc1ccc(N2CCN(C(=O)CC[N@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000019745245 463021170 /nfs/dbraw/zinc/02/11/70/463021170.db2.gz KROGFBCKNGULDU-KRWDZBQOSA-N 1 1 345.487 2.466 50 10 EECAMO O=C1OC[C@H]2C[N@H+](C3CCN(c4ccc5c(c4)CCC5)CC3)CCN12 ZINC001506407452 1114598349 /nfs/dbraw/zinc/59/83/49/1114598349.db2.gz WAZGUAOEXTUWKT-LJQANCHMSA-N 1 1 341.455 2.281 50 10 EECAMO COC(=O)Cc1c(C)c2cc(C[NH+]3CCCC3)c(O)c(C)c2oc1=O ZINC000009047744 211034705 /nfs/dbraw/zinc/03/47/05/211034705.db2.gz USAYGPKNGRWQMV-UHFFFAOYSA-N 1 1 345.395 2.427 50 10 EECAMO COc1ccc(N2CCN(C(=O)CC[N@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000019745243 463021092 /nfs/dbraw/zinc/02/10/92/463021092.db2.gz KROGFBCKNGULDU-QGZVFWFLSA-N 1 1 345.487 2.466 50 10 EECAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)cc2O)N3)C1 ZINC000004905840 462641377 /nfs/dbraw/zinc/64/13/77/462641377.db2.gz PTLNTCXVHDDESR-AWEZNQCLSA-N 1 1 331.397 2.001 50 10 EECAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)cc2O)N3)C1 ZINC000004905840 462641381 /nfs/dbraw/zinc/64/13/81/462641381.db2.gz PTLNTCXVHDDESR-AWEZNQCLSA-N 1 1 331.397 2.001 50 10 EECAMO C[N@@H+](CCN1CCOCC1)C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC001506417803 1114601396 /nfs/dbraw/zinc/60/13/96/1114601396.db2.gz LJYRAPSUTGPAJC-UHFFFAOYSA-N 1 1 343.515 2.408 50 10 EECAMO OCC[C@@H]1C[N@@H+](Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000019731118 202016153 /nfs/dbraw/zinc/01/61/53/202016153.db2.gz QBIKEANVAXQMQK-LJQANCHMSA-N 1 1 326.440 2.461 50 10 EECAMO OCC[C@@H]1CN(Cc2ccccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000019731118 202016155 /nfs/dbraw/zinc/01/61/55/202016155.db2.gz QBIKEANVAXQMQK-LJQANCHMSA-N 1 1 326.440 2.461 50 10 EECAMO OCC[C@@H]1CN(Cc2ccccc2O)CC[N@H+]1Cc1ccccc1 ZINC000019731118 202016160 /nfs/dbraw/zinc/01/61/60/202016160.db2.gz QBIKEANVAXQMQK-LJQANCHMSA-N 1 1 326.440 2.461 50 10 EECAMO COc1cccc(O)c1CN1CC[N@@H+](CCC(C)C)[C@H](CCO)C1 ZINC000104376919 278018393 /nfs/dbraw/zinc/01/83/93/278018393.db2.gz ZCVYNYYJHMEAII-MRXNPFEDSA-N 1 1 336.476 2.316 50 10 EECAMO COc1cccc(CN2CC[N@@H+](CCC(C)C)[C@@H](CCO)C2)c1O ZINC000019739595 202018615 /nfs/dbraw/zinc/01/86/15/202018615.db2.gz DFAJVUGBINHRSV-KRWDZBQOSA-N 1 1 336.476 2.316 50 10 EECAMO CC(C)(O)c1cn(C[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)nn1 ZINC000019228739 1229225434 /nfs/dbraw/zinc/22/54/34/1229225434.db2.gz DYEOILSKTJFAFX-CYBMUJFWSA-N 1 1 348.422 2.262 50 10 EECAMO CS(=O)(=O)N1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000027085804 202151670 /nfs/dbraw/zinc/15/16/70/202151670.db2.gz YSOSYRYEGPHFLE-UHFFFAOYSA-N 1 1 334.441 2.013 50 10 EECAMO C[NH+]1CCN(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)CC1 ZINC000020647561 212160515 /nfs/dbraw/zinc/16/05/15/212160515.db2.gz RGYSROQVLUBCIH-FYWRMAATSA-N 1 1 347.509 2.178 50 10 EECAMO COc1cccc(O)c1CN1CC[N@@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000019225395 212007636 /nfs/dbraw/zinc/00/76/36/212007636.db2.gz ISQUBAPKNGJZQD-INIZCTEOSA-N 1 1 334.460 2.212 50 10 EECAMO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1nnc2ccccn21 ZINC000015593732 462957594 /nfs/dbraw/zinc/95/75/94/462957594.db2.gz HDYDERFDXBAYHL-OAHLLOKOSA-N 1 1 337.427 2.417 50 10 EECAMO C[NH+]1CCN([C@@H](c2ccccc2)c2cc3c(cc2O)OCO3)CC1 ZINC000020746139 212168277 /nfs/dbraw/zinc/16/82/77/212168277.db2.gz YMPUCFJIGUUPLM-IBGZPJMESA-N 1 1 326.396 2.458 50 10 EECAMO OCC[C@H]1C[N@@H+](Cc2ccccc2O)CCN1Cc1ccccc1 ZINC000019731120 212058569 /nfs/dbraw/zinc/05/85/69/212058569.db2.gz QBIKEANVAXQMQK-IBGZPJMESA-N 1 1 326.440 2.461 50 10 EECAMO OCC[C@H]1CN(Cc2ccccc2O)CC[N@@H+]1Cc1ccccc1 ZINC000019731120 212058571 /nfs/dbraw/zinc/05/85/71/212058571.db2.gz QBIKEANVAXQMQK-IBGZPJMESA-N 1 1 326.440 2.461 50 10 EECAMO OCC[C@H]1CN(Cc2ccccc2O)CC[N@H+]1Cc1ccccc1 ZINC000019731120 212058574 /nfs/dbraw/zinc/05/85/74/212058574.db2.gz QBIKEANVAXQMQK-IBGZPJMESA-N 1 1 326.440 2.461 50 10 EECAMO COc1ccc(N2CCC([N@@H+](C)C[C@H](C)N3CCOCC3)CC2)cc1 ZINC000952987007 796154248 /nfs/dbraw/zinc/15/42/48/796154248.db2.gz IGNLOKSHZDLHHK-KRWDZBQOSA-N 1 1 347.503 2.317 50 10 EECAMO COc1ccc(N2CC[N@@H+](CC(C)(C)N3CCOCC3)[C@H](C)C2)cc1 ZINC000072165790 203179598 /nfs/dbraw/zinc/17/95/98/203179598.db2.gz DFVCJZMCDLQJJR-QGZVFWFLSA-N 1 1 347.503 2.317 50 10 EECAMO COc1cccc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1O ZINC000005010356 210360190 /nfs/dbraw/zinc/36/01/90/210360190.db2.gz BUHWRFZWBUVJHV-HIFRSBDPSA-N 1 1 326.396 2.182 50 10 EECAMO Oc1c(C[NH+]2CCOCC2)cc(CN2CCOCC2)c2ccccc12 ZINC000071770077 463424509 /nfs/dbraw/zinc/42/45/09/463424509.db2.gz DWPNHWPBMLKGLD-UHFFFAOYSA-N 1 1 342.439 2.210 50 10 EECAMO COc1ccc(N2CCC([N@H+]3CC[C@@]4(C3)CCCNC4=O)CC2)cc1 ZINC000091574277 218023600 /nfs/dbraw/zinc/02/36/00/218023600.db2.gz CZCOGNUYDAXIHL-HXUWFJFHSA-N 1 1 343.471 2.266 50 10 EECAMO COc1ccc(CN2CC[N@@H+](CC(C)(C)C)[C@H](CCO)C2)c(O)c1 ZINC000104413972 219384882 /nfs/dbraw/zinc/38/48/82/219384882.db2.gz AEPZNFBHDLINQX-MRXNPFEDSA-N 1 1 336.476 2.316 50 10 EECAMO C[NH+]1CCN([C@H](c2ccccc2)c2cc3c(cc2O)OCO3)CC1 ZINC000020746140 212168328 /nfs/dbraw/zinc/16/83/28/212168328.db2.gz YMPUCFJIGUUPLM-LJQANCHMSA-N 1 1 326.396 2.458 50 10 EECAMO CCOc1cccc(CN2CC[N@@H+](CC(C)C)[C@H](CCO)C2)c1O ZINC000039478276 213237566 /nfs/dbraw/zinc/23/75/66/213237566.db2.gz JGBDKMSVLMXOBO-QGZVFWFLSA-N 1 1 336.476 2.316 50 10 EECAMO COc1ccc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)c(O)c1 ZINC000020205343 212111133 /nfs/dbraw/zinc/11/11/33/212111133.db2.gz RHGJVQRXPLJLPV-KRWDZBQOSA-N 1 1 334.460 2.212 50 10 EECAMO COc1cccc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)c1O ZINC000039388490 213236383 /nfs/dbraw/zinc/23/63/83/213236383.db2.gz DIHYDHGEAXZCDS-QGZVFWFLSA-N 1 1 334.460 2.212 50 10 EECAMO COc1ccc([C@H]2[NH2+]CCc3cc(O)c(O)cc32)c(OC)c1OC ZINC000012420990 277430687 /nfs/dbraw/zinc/43/06/87/277430687.db2.gz HSPVNPQGCDDHKU-MRXNPFEDSA-N 1 1 331.368 2.359 50 10 EECAMO COc1cccc(O)c1CN1CC[N@@H+](C2CCCC2)[C@H](CCO)C1 ZINC000039446851 213236417 /nfs/dbraw/zinc/23/64/17/213236417.db2.gz ISQUBAPKNGJZQD-MRXNPFEDSA-N 1 1 334.460 2.212 50 10 EECAMO COc1ccc(/C=C2/SC(N3CC[N@H+]4CCC[C@H]4C3)=NC2=O)cc1 ZINC000020607850 212153514 /nfs/dbraw/zinc/15/35/14/212153514.db2.gz OVMYBDWIJQBSBL-LUYJPIOASA-N 1 1 343.452 2.446 50 10 EECAMO CC[NH+](CC)c1ccc(NC=C2C(=O)N(C)C(=S)N(C)C2=O)cc1 ZINC000006533519 462689308 /nfs/dbraw/zinc/68/93/08/462689308.db2.gz FLOGPZQCIKHOCY-UHFFFAOYSA-N 1 1 346.456 2.044 50 10 EECAMO COc1cccc(CN2CC[N@@H+](CCC(C)C)[C@H](CCO)C2)c1O ZINC000104308431 219373265 /nfs/dbraw/zinc/37/32/65/219373265.db2.gz DFAJVUGBINHRSV-QGZVFWFLSA-N 1 1 336.476 2.316 50 10 EECAMO COc1ccc(N2CCC([N@H+]3CC[C@]4(C3)CCCNC4=O)CC2)cc1 ZINC000091574278 274113314 /nfs/dbraw/zinc/11/33/14/274113314.db2.gz CZCOGNUYDAXIHL-FQEVSTJZSA-N 1 1 343.471 2.266 50 10 EECAMO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)cc1 ZINC000008188481 462771752 /nfs/dbraw/zinc/77/17/52/462771752.db2.gz OFOWJQLSXBGRIT-UHFFFAOYSA-N 1 1 328.368 2.113 50 10 EECAMO CC(C)(C)c1cc(C[NH+]2CCOCC2)c(O)c(N2CCOCC2)c1 ZINC000034696151 463428146 /nfs/dbraw/zinc/42/81/46/463428146.db2.gz OUBIBBFSXOZBBU-UHFFFAOYSA-N 1 1 334.460 2.359 50 10 EECAMO CN(C)c1ccc(CNC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000021540884 212232201 /nfs/dbraw/zinc/23/22/01/212232201.db2.gz ABPZISYHAKIQIW-UHFFFAOYSA-N 1 1 328.416 2.266 50 10 EECAMO O=C1OC[C@@H]2C[N@H+](C3CCN(c4ccc5c(c4)CCC5)CC3)CCN12 ZINC001506407449 1114598010 /nfs/dbraw/zinc/59/80/10/1114598010.db2.gz WAZGUAOEXTUWKT-IBGZPJMESA-N 1 1 341.455 2.281 50 10 EECAMO COc1cccc(O)c1CN1CC[N@@H+](CCC(C)C)[C@@H](CCO)C1 ZINC000020774017 212169290 /nfs/dbraw/zinc/16/92/90/212169290.db2.gz ZCVYNYYJHMEAII-INIZCTEOSA-N 1 1 336.476 2.316 50 10 EECAMO COc1ccc(N2CCC([N@H+]3C[C@H]4CC[C@@H](C3)C(=O)N4C)CC2)cc1 ZINC000072481203 216261771 /nfs/dbraw/zinc/26/17/71/216261771.db2.gz PVEYKJZLUWGEQU-MAUKXSAKSA-N 1 1 343.471 2.217 50 10 EECAMO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1nnc2ccccn21 ZINC000015593733 462957377 /nfs/dbraw/zinc/95/73/77/462957377.db2.gz HDYDERFDXBAYHL-HNNXBMFYSA-N 1 1 337.427 2.417 50 10 EECAMO CC[NH+](CC)CCNC=C1C(=O)NC(=O)N(C2CCCCC2)C1=O ZINC000103096630 1358324026 /nfs/dbraw/zinc/32/40/26/1358324026.db2.gz VVJMIXNCRZZULN-OWBHPGMISA-N 1 1 336.436 2.053 50 10 EECAMO COc1ccc(O)c(C[N@H+]2CCN(CC=C(C)C)[C@@H](CCO)C2)c1 ZINC000023360171 202103312 /nfs/dbraw/zinc/10/33/12/202103312.db2.gz DUVDNPNDGSAEHD-KRWDZBQOSA-N 1 1 334.460 2.236 50 10 EECAMO COc1ccc(O)c(CN2CC[N@H+](CC=C(C)C)[C@@H](CCO)C2)c1 ZINC000023360171 202103316 /nfs/dbraw/zinc/10/33/16/202103316.db2.gz DUVDNPNDGSAEHD-KRWDZBQOSA-N 1 1 334.460 2.236 50 10 EECAMO COc1ccc(O)c(CN2CC[N@@H+](CC=C(C)C)[C@@H](CCO)C2)c1 ZINC000023360171 202103320 /nfs/dbraw/zinc/10/33/20/202103320.db2.gz DUVDNPNDGSAEHD-KRWDZBQOSA-N 1 1 334.460 2.236 50 10 EECAMO COc1ccc(N2CC[N@@H+](CC(C)(C)N3CCOCC3)[C@@H](C)C2)cc1 ZINC000072165791 286325498 /nfs/dbraw/zinc/32/54/98/286325498.db2.gz DFVCJZMCDLQJJR-KRWDZBQOSA-N 1 1 347.503 2.317 50 10 EECAMO COc1cc(OC)c([C@@H]2[NH2+]CCc3cc(O)c(O)cc32)cc1OC ZINC000003719665 286240240 /nfs/dbraw/zinc/24/02/40/286240240.db2.gz WDUBPLAZSFKTLW-GOSISDBHSA-N 1 1 331.368 2.359 50 10 EECAMO Oc1ccc(F)cc1C[N@H+](CCN1CCOCC1)Cc1ccco1 ZINC000055167382 214282121 /nfs/dbraw/zinc/28/21/21/214282121.db2.gz HJFODJXXUOMHCU-UHFFFAOYSA-N 1 1 334.391 2.459 50 10 EECAMO Oc1ccc(F)cc1C[N@@H+](CCN1CCOCC1)Cc1ccco1 ZINC000055167382 214282124 /nfs/dbraw/zinc/28/21/24/214282124.db2.gz HJFODJXXUOMHCU-UHFFFAOYSA-N 1 1 334.391 2.459 50 10 EECAMO COc1cccc(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)c1O ZINC000065454458 462773496 /nfs/dbraw/zinc/77/34/96/462773496.db2.gz OTPWQHXLWPCXCT-UHFFFAOYSA-N 1 1 330.384 2.342 50 10 EECAMO COc1ccc(/C=C2/SC(N3CC[N@H+]4CCC[C@@H]4C3)=NC2=O)cc1 ZINC000020607849 277399212 /nfs/dbraw/zinc/39/92/12/277399212.db2.gz OVMYBDWIJQBSBL-DSQDWWTGSA-N 1 1 343.452 2.446 50 10 EECAMO CC(C)(O)c1cn(C[C@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)nn1 ZINC000019228741 1229225592 /nfs/dbraw/zinc/22/55/92/1229225592.db2.gz DYEOILSKTJFAFX-ZDUSSCGKSA-N 1 1 348.422 2.262 50 10 EECAMO COc1cc(OC)c([C@H]2[NH2+]CCc3cc(O)c(O)cc32)cc1OC ZINC000003719666 286240405 /nfs/dbraw/zinc/24/04/05/286240405.db2.gz WDUBPLAZSFKTLW-SFHVURJKSA-N 1 1 331.368 2.359 50 10 EECAMO COc1ccc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)c(O)c1 ZINC000039364645 213233765 /nfs/dbraw/zinc/23/37/65/213233765.db2.gz RHGJVQRXPLJLPV-QGZVFWFLSA-N 1 1 334.460 2.212 50 10 EECAMO COc1ccc([C@@H]2[NH2+]CCc3cc(O)c(O)cc32)c(OC)c1OC ZINC000012420989 286364967 /nfs/dbraw/zinc/36/49/67/286364967.db2.gz HSPVNPQGCDDHKU-INIZCTEOSA-N 1 1 331.368 2.359 50 10 EECAMO C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000011193317 462829269 /nfs/dbraw/zinc/82/92/69/462829269.db2.gz IKJJOCVBDNOXIX-UHFFFAOYSA-N 1 1 339.439 2.254 50 10 EECAMO COc1ccc(O)c(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)c1 ZINC000019771014 212063371 /nfs/dbraw/zinc/06/33/71/212063371.db2.gz JJCAFPCGUMJGQR-KRWDZBQOSA-N 1 1 334.460 2.212 50 10 EECAMO COc1cc(Br)cc(CN2CCC[N@@H+](C)CC2)c1O ZINC000022586645 212308191 /nfs/dbraw/zinc/30/81/91/212308191.db2.gz CVXKNTVUZQIENN-UHFFFAOYSA-N 1 1 329.238 2.301 50 10 EECAMO CO[C@@H]1CCNC[C@@H]1[NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC001506407841 1114598079 /nfs/dbraw/zinc/59/80/79/1114598079.db2.gz UWHYXRCECXDPLD-VQTJNVASSA-N 1 1 329.488 2.111 50 10 EECAMO COc1cccc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)c1O ZINC000020599399 212151419 /nfs/dbraw/zinc/15/14/19/212151419.db2.gz DIHYDHGEAXZCDS-KRWDZBQOSA-N 1 1 334.460 2.212 50 10 EECAMO CCOC(=O)N1CC[NH+](Cc2cc(-c3ncccn3)ccc2O)CC1 ZINC000103747065 684597808 /nfs/dbraw/zinc/59/78/08/684597808.db2.gz ZTQBWDKVOVDMSJ-UHFFFAOYSA-N 1 1 342.399 2.123 50 10 EECAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)cc2O)N3)C1 ZINC000004905844 210318688 /nfs/dbraw/zinc/31/86/88/210318688.db2.gz PTLNTCXVHDDESR-CQSZACIVSA-N 1 1 331.397 2.001 50 10 EECAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)cc2O)N3)C1 ZINC000004905844 210318689 /nfs/dbraw/zinc/31/86/89/210318689.db2.gz PTLNTCXVHDDESR-CQSZACIVSA-N 1 1 331.397 2.001 50 10 EECAMO COc1ccc(N2CCC([N@@H+](C)C[C@@H](C)N3CCOCC3)CC2)cc1 ZINC000952987009 796154149 /nfs/dbraw/zinc/15/41/49/796154149.db2.gz IGNLOKSHZDLHHK-QGZVFWFLSA-N 1 1 347.503 2.317 50 10 EECAMO COc1c2c(cc3c1[C@H](c1ccc(O)cc1O)[N@@H+](C)CC3)OCO2 ZINC000000526570 286188615 /nfs/dbraw/zinc/18/86/15/286188615.db2.gz ZINQKEBNSHWKFP-INIZCTEOSA-N 1 1 329.352 2.412 50 10 biogenic EECAMO