ZINC

InchiKey	SMILES	Num Rings	# Subs.	Num BB	# Purch.	Biogenic	Endo.	In Man	World
JUJWROOIHBZHMG-UHFFFAOYSA-N	c1ccncc1	1	2300230 (0.1%)	597858 (1.4%)	2297064 (0.6%)	34 (0.0%)	71 (0.1%)	164 (0.2%)	12 (0.3%)
XDTMQSROBMDMFD-UHFFFAOYSA-N	C1CCCCC1	1	1648373 (0.1%)	417118 (1.0%)	1641807 (0.4%)	186 (0.1%)	584 (1.2%)	939 (1.0%)	13 (0.4%)
YTPLMLYBLZKORZ-UHFFFAOYSA-N	c1ccsc1	1	993001 (0.0%)	208614 (0.5%)	992293 (0.3%)	13 (0.0%)	14 (0.0%)	47 (0.0%)	3 (0.1%)
ZVSKZLHKADLHSD-UHFFFAOYSA-N	O=C(Nc1ccccc1)c1ccccc1	2	865722 (0.0%)	28575 (0.1%)	864458 (0.2%)	33 (0.0%)	1 (0.0%)	30 (0.0%)	4 (0.1%)
RGSFGYAAUTVSQA-UHFFFAOYSA-N	C1CCCC1	1	840005 (0.0%)	206448 (0.5%)	838968 (0.2%)	57 (0.0%)	88 (0.2%)	146 (0.1%)	6 (0.2%)
VIQDUCBDZPYNNX-UHFFFAOYSA-N	O=C(c1ccccc1)N1CCCC1	2	682582 (0.0%)	0 (0.0%)	682230 (0.2%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
YXTROGRGRSPWKL-UHFFFAOYSA-N	O=C(c1ccccc1)N1CCCCC1	2	681780 (0.0%)	30950 (0.1%)	681415 (0.2%)	18 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
XAUGWFWQVYXATQ-UHFFFAOYSA-N	O=S(=O)(Nc1ccccc1)c1ccccc1	2	662959 (0.0%)	6507 (0.0%)	662175 (0.2%)	0 (0.0%)	0 (0.0%)	3 (0.0%)	1 (0.0%)
LKQUCICFTHBFAL-UHFFFAOYSA-N	O=C(NCc1ccccc1)c1ccccc1	2	650071 (0.0%)	6244 (0.0%)	649598 (0.2%)	9 (0.0%)	0 (0.0%)	1 (0.0%)	1 (0.0%)
DYWZCPSQWXGGNJ-UHFFFAOYSA-N	O=C(NCc1ccccc1)C(=O)Nc1ccccc1	2	612655 (0.0%)	78 (0.0%)	612655 (0.2%)	3 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
XXFBRXQVPJVXFB-UHFFFAOYSA-N	O=C(NCc1ccccc1)Nc1ccccc1	2	603781 (0.0%)	1089 (0.0%)	603557 (0.2%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
YLQBMQCUIZJEEH-UHFFFAOYSA-N	c1ccoc1	1	522310 (0.0%)	93596 (0.2%)	521587 (0.1%)	35 (0.0%)	66 (0.1%)	196 (0.2%)	1 (0.0%)
VRYWBMTXKFQBCA-UHFFFAOYSA-N	O=S(=O)(c1ccccc1)N1CCCCC1	2	469891 (0.0%)	7316 (0.0%)	469784 (0.1%)	13 (0.0%)	0 (0.0%)	1 (0.0%)	0 (0.0%)
UICIJOHWFFTRLI-UHFFFAOYSA-N	O=C(Nc1ccccc1)N1CCCCC1	2	462603 (0.0%)	2054 (0.0%)	462574 (0.1%)	30 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
GTWJETSWSUWSEJ-UHFFFAOYSA-N	c1ccc(CNc2ccccc2)cc1	2	439779 (0.0%)	38987 (0.1%)	439318 (0.1%)	2 (0.0%)	0 (0.0%)	5 (0.0%)	0 (0.0%)
BWLUMTFWVZZZND-UHFFFAOYSA-N	c1ccc(CNCc2ccccc2)cc1	2	430650 (0.0%)	9213 (0.0%)	430508 (0.1%)	2 (0.0%)	0 (0.0%)	1 (0.0%)	0 (0.0%)
OVEBFKJNLROFFA-UHFFFAOYSA-N	O=C(Nc1ccccc1)C(=O)N1CCCCC1	2	400289 (0.0%)	44 (0.0%)	400289 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
GRTPAOVVVLZLDP-UHFFFAOYSA-N	O=S(=O)(NCc1ccccc1)c1ccccc1	2	395009 (0.0%)	4154 (0.0%)	394522 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
SMWDFEZZVXVKRB-UHFFFAOYSA-N	c1ccc2ncccc2c1	2	391407 (0.0%)	72305 (0.2%)	389761 (0.1%)	17 (0.0%)	4 (0.0%)	32 (0.0%)	7 (0.2%)
JUTDHSGANMHVIC-UHFFFAOYSA-N	c1ccc(C2CCCN2)cc1	2	375336 (0.0%)	0 (0.0%)	375179 (0.1%)	6 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
NTBKXPQLQPBJJL-UHFFFAOYSA-N	O=C(Nc1ccccc1)N1CCCC1	2	341142 (0.0%)	3028 (0.0%)	341121 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
BOTNYLSAWDQNEX-UHFFFAOYSA-N	c1ccc(COc2ccccc2)cc1	2	310467 (0.0%)	36689 (0.1%)	309070 (0.1%)	4 (0.0%)	2 (0.0%)	6 (0.0%)	4 (0.1%)
KUKNAWNIGMKSNN-UHFFFAOYSA-N	O=C1C=C(c2ccccc2)C(c2ccccc2)N1c1ccccc1	4	307012 (0.0%)	0 (0.0%)	307012 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
SBFOQYVYXHHOJI-UHFFFAOYSA-N	O=C(Nc1ccccc1)C(=O)N1CCCC1	2	305240 (0.0%)	9 (0.0%)	305240 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
XOFPKHCEEHDMMC-UHFFFAOYSA-N	O=C(NCc1ccccc1)N1CCCCC1	2	296043 (0.0%)	395 (0.0%)	296039 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
KATOLVAXCGIBLO-UHFFFAOYSA-N	O=C(NCc1ccccc1)NCc1ccccc1	2	294684 (0.0%)	106 (0.0%)	294659 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
KYPIASPTMDEDQB-UHFFFAOYSA-N	O=C(Cc1ccccc1)Nc1ccccc1	2	287827 (0.0%)	2609 (0.0%)	287637 (0.1%)	3 (0.0%)	0 (0.0%)	1 (0.0%)	0 (0.0%)
DSWRVRWIXRRDLN-UHFFFAOYSA-N	O=S(=O)(c1ccccc1)N1CCCC1	2	286670 (0.0%)	9496 (0.0%)	286535 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
KAESVJOAVNADME-UHFFFAOYSA-N	c1cc[nH]c1	1	273439 (0.0%)	53362 (0.1%)	273030 (0.1%)	1 (0.0%)	5 (0.0%)	22 (0.0%)	0 (0.0%)
XIXRCHQDSDDZAO-UHFFFAOYSA-N	O=C(COC(=O)c1ccccc1)Nc1ccccc1	2	268894 (0.0%)	32 (0.0%)	268891 (0.1%)	1 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
VDLGLFVMQUNFST-UHFFFAOYSA-N	O=C(COc1ccccc1)Nc1ccccc1	2	258566 (0.0%)	4744 (0.0%)	258415 (0.1%)	0 (0.0%)	0 (0.0%)	2 (0.0%)	0 (0.0%)
CPKRCGUDZGKAPJ-UHFFFAOYSA-N	O=C(Cc1ccccc1)NCc1ccccc1	2	258083 (0.0%)	654 (0.0%)	257819 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
USIUVYZYUHIAEV-UHFFFAOYSA-N	c1ccc(Oc2ccccc2)cc1	2	256722 (0.0%)	35475 (0.1%)	254904 (0.1%)	46 (0.0%)	11 (0.0%)	42 (0.0%)	3 (0.1%)
BUIDJGLUTUPABZ-UHFFFAOYSA-N	O=C(NCCc1ccccc1)C(=O)Nc1ccccc1	2	254934 (0.0%)	34 (0.0%)	254932 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
AJEUJXWLOADTKA-UHFFFAOYSA-N	c1ccc(N2CCCCC2)nc1	2	250900 (0.0%)	0 (0.0%)	250682 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
IQXXEPZFOOTTBA-UHFFFAOYSA-N	c1ccc(CN2CCNCC2)cc1	2	249337 (0.0%)	15720 (0.0%)	249130 (0.1%)	1 (0.0%)	0 (0.0%)	0 (0.0%)	1 (0.0%)
DAVRGGJTJDTVQT-UHFFFAOYSA-N	O=C(NCCc1ccccc1)c1ccccc1	2	244347 (0.0%)	1561 (0.0%)	243939 (0.1%)	11 (0.0%)	7 (0.0%)	15 (0.0%)	3 (0.1%)
GVWBJJLCTWNTRU-UHFFFAOYSA-N	c1ccc(CN2CCOCC2)cc1	2	238066 (0.0%)	15179 (0.0%)	238008 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
VUNXBQRNMNVUMV-UHFFFAOYSA-N	O=C(c1ccccc1)N1CCNCC1	2	233077 (0.0%)	6206 (0.0%)	233031 (0.1%)	15 (0.0%)	0 (0.0%)	1 (0.0%)	0 (0.0%)
AZYTZQYCOBXDGY-UHFFFAOYSA-N	c1ccc(N2CCCC2)nc1	2	232621 (0.0%)	26548 (0.1%)	232610 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
LRXKXDGJVHZGBH-UHFFFAOYSA-N	O=S(=O)(c1ccccc1)N1CCOCC1	2	231862 (0.0%)	0 (0.0%)	231798 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
UJMBCHVRTIOTKC-UHFFFAOYSA-N	c1ccc(C2CCC2)cc1	2	229252 (0.0%)	0 (0.0%)	229234 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	2 (0.1%)
IAJCQLOENFFYTI-UHFFFAOYSA-N	O=C(NCCc1ccccc1)Nc1ccccc1	2	216371 (0.0%)	58 (0.0%)	216258 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
NANQJUFFKXWVJR-UHFFFAOYSA-N	O=S(=O)(c1ccccc1)N1CCNCC1	2	215212 (0.0%)	0 (0.0%)	215011 (0.1%)	5 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
QWUWMCYKGHVNAV-UHFFFAOYSA-N	c1ccc(CCc2ccccc2)cc1	2	209039 (0.0%)	42534 (0.1%)	207942 (0.1%)	93 (0.1%)	7 (0.0%)	51 (0.1%)	7 (0.2%)
FKDXAVZBHJWLEM-UHFFFAOYSA-N	O=C(Cc1ccccc1)N1CCCCC1	2	207278 (0.0%)	3486 (0.0%)	207209 (0.1%)	3 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
FLCWYEUDIOQXEB-UHFFFAOYSA-N	O=C(c1ccccc1)N1CCOCC1	2	204747 (0.0%)	10844 (0.0%)	204731 (0.1%)	1 (0.0%)	0 (0.0%)	2 (0.0%)	0 (0.0%)
KQJYDHWNYPRIRY-UHFFFAOYSA-N	O=C(NC1CCCCC1)c1ccccc1	2	203238 (0.0%)	15419 (0.0%)	203149 (0.1%)	4 (0.0%)	0 (0.0%)	2 (0.0%)	0 (0.0%)
QGCXDVIAGVEYLT-UHFFFAOYSA-N	O=C(NCc1ccccc1)N1CCCC1	2	201666 (0.0%)	466 (0.0%)	201662 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
WPNWGIALOINNCO-UHFFFAOYSA-N	O=C(COc1ccccc1)NCc1ccccc1	2	197137 (0.0%)	693 (0.0%)	197049 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
JZKBURCILYUBHE-UHFFFAOYSA-N	O=C(NCCc1ccccc1)NCc1ccccc1	2	195180 (0.0%)	53 (0.0%)	195174 (0.1%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
OVWGAGKOPGNUGC-UHFFFAOYSA-N	O=C(CCc1ccccc1)Nc1ccccc1	2	194031 (0.0%)	1254 (0.0%)	193851 (0.0%)	0 (0.0%)	0 (0.0%)	1 (0.0%)	0 (0.0%)
WFECYQKJNWJCBA-UHFFFAOYSA-N	O=C(CN1CCCCC1)Nc1ccccc1	2	192126 (0.0%)	793 (0.0%)	192111 (0.0%)	0 (0.0%)	0 (0.0%)	1 (0.0%)	0 (0.0%)
QONMRPMQMVTSLW-UHFFFAOYSA-N	c1ccc(CNCC2CC2)cc1	2	187039 (0.0%)	0 (0.0%)	187030 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
WYKHSBAVLOPISI-UHFFFAOYSA-N	c1ccc(-c2nccs2)cc1	2	186995 (0.0%)	12323 (0.0%)	186081 (0.0%)	0 (0.0%)	0 (0.0%)	1 (0.0%)	0 (0.0%)
FEOUTXCSJHUHLP-UHFFFAOYSA-N	O=C(CCc1ccccc1)NCc1ccccc1	2	184176 (0.0%)	341 (0.0%)	183979 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
SESFRYSPDFLNCH-UHFFFAOYSA-N	O=C(OCc1ccccc1)c1ccccc1	2	177165 (0.0%)	650 (0.0%)	177067 (0.0%)	13 (0.0%)	5 (0.0%)	10 (0.0%)	1 (0.0%)
ZUOUZKKEUPVFJK-UHFFFAOYSA-N	c1ccc(-c2ccccc2)cc1	2	174334 (0.0%)	39067 (0.1%)	171573 (0.0%)	52 (0.0%)	8 (0.0%)	47 (0.0%)	5 (0.1%)
IYWYMFZAZUYNLC-UHFFFAOYSA-N	c1ccc(CNC2CCCCC2)cc1	2	164308 (0.0%)	23334 (0.1%)	164257 (0.0%)	4 (0.0%)	0 (0.0%)	3 (0.0%)	3 (0.1%)
HXPFZEWELFHRDN-UHFFFAOYSA-N	O=C(Nc1ccccc1)C(=O)NC1CCCCC1	2	159202 (0.0%)	19 (0.0%)	159201 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
QXTUGXAQOPADAU-UHFFFAOYSA-N	O=C(CNCc1ccccc1)Nc1ccccc1	2	156171 (0.0%)	1662 (0.0%)	156158 (0.0%)	1 (0.0%)	0 (0.0%)	1 (0.0%)	0 (0.0%)
UPABQMWFWCMOFV-UHFFFAOYSA-N	c1ccc(CCNCc2ccccc2)cc1	2	152964 (0.0%)	2334 (0.0%)	152798 (0.0%)	4 (0.0%)	0 (0.0%)	4 (0.0%)	3 (0.1%)
GHNHEWYCTRNGGW-UHFFFAOYSA-N	O=C(CNc1ccccc1)Nc1ccccc1	2	152234 (0.0%)	14525 (0.0%)	152187 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
RQCBPOPQTLHDFC-UHFFFAOYSA-N	c1ccc(-c2ncco2)cc1	2	151706 (0.0%)	4357 (0.0%)	150551 (0.0%)	0 (0.0%)	0 (0.0%)	1 (0.0%)	0 (0.0%)
MEAAWTRWNWSLPF-UHFFFAOYSA-N	c1ccc(Oc2ccccn2)cc1	2	147777 (0.0%)	22233 (0.1%)	147403 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
TZOYXRMEFDYWDQ-UHFFFAOYSA-N	O=C1CCc2ccccc2N1	2	144528 (0.0%)	4759 (0.0%)	144410 (0.0%)	4 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
WPLYTRWMCWBZEN-UHFFFAOYSA-N	O=C(Nc1ccccc1)NC1CCCCC1	2	144446 (0.0%)	516 (0.0%)	144438 (0.0%)	9 (0.0%)	0 (0.0%)	0 (0.0%)	2 (0.1%)
GZRKXKUVVPSREJ-UHFFFAOYSA-N	c1ccc(N2CCNCC2)nc1	2	140810 (0.0%)	0 (0.0%)	140767 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
HOJGUDWNFKNCPF-UHFFFAOYSA-N	O=C(CCc1ccccc1)N1CCCCC1	2	138300 (0.0%)	464 (0.0%)	138271 (0.0%)	1 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
UAXRBOBBVNXGMJ-UHFFFAOYSA-N	O=C(Cc1ccccc1)N1CCCC1	2	136885 (0.0%)	4423 (0.0%)	136785 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
NYMLZIFRPNYAHS-UHFFFAOYSA-N	c1ccc(-c2nnc[nH]2)cc1	2	136676 (0.0%)	12358 (0.0%)	136549 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
FKVBFUNDCWLODT-UHFFFAOYSA-N	O=C(C1=CC(=O)N(c2ccccc2)C1c1ccccc1)c1ccccc1	4	135760 (0.0%)	0 (0.0%)	135746 (0.0%)	2 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
UYFBSIJFMJLIAZ-UHFFFAOYSA-N	c1ccc(NCC2CC2)cc1	2	135097 (0.0%)	0 (0.0%)	135087 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
TXTHKGMZDDTZFD-UHFFFAOYSA-N	c1ccc(NC2CCCCC2)cc1	2	134440 (0.0%)	44194 (0.1%)	134397 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
IWELDVXSEVIIGI-UHFFFAOYSA-N	O=C1CNCCN1	1	132488 (0.0%)	0 (0.0%)	132453 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
IUPQNTVJUFOXAX-UHFFFAOYSA-N	O=C(COc1ccccc1)N1CCCCC1	2	131650 (0.0%)	1217 (0.0%)	131602 (0.0%)	0 (0.0%)	0 (0.0%)	1 (0.0%)	0 (0.0%)
FTWUXYZHDFCGSV-UHFFFAOYSA-N	O=C(Nc1ccccc1)C(=O)Nc1ccccc1	2	131106 (0.0%)	88 (0.0%)	131102 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
KANJURUEJQFVCA-UHFFFAOYSA-N	c1ccc(CCC2CC2)cc1	2	130451 (0.0%)	0 (0.0%)	130445 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
YEQDVKYOHVLZPU-UHFFFAOYSA-N	O=C(Nc1ccccc1)N1CCNCC1	2	129145 (0.0%)	391 (0.0%)	129129 (0.0%)	4 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
CIOIRYLEIVBXJB-UHFFFAOYSA-N	O=C(CN1CCCC1)Nc1ccccc1	2	127622 (0.0%)	1119 (0.0%)	127620 (0.0%)	0 (0.0%)	0 (0.0%)	3 (0.0%)	0 (0.0%)
ZLDFSUZIEYDGHD-UHFFFAOYSA-N	O=C(NC1CCCC1)c1ccccc1	2	125086 (0.0%)	15991 (0.0%)	125046 (0.0%)	5 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
ASBWJERTCCTIMI-UHFFFAOYSA-N	O=S(=O)(NCCc1ccccc1)c1ccccc1	2	124759 (0.0%)	465 (0.0%)	124594 (0.0%)	2 (0.0%)	0 (0.0%)	1 (0.0%)	0 (0.0%)
PGPFRBIKUWKSTJ-UHFFFAOYSA-N	C1CC1C1CC1	2	123846 (0.0%)	2957 (0.0%)	123843 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
VGMCFRMFYIUNSC-UHFFFAOYSA-N	O=C(NCCc1ccccc1)N1CCCCC1	2	123845 (0.0%)	26 (0.0%)	123843 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
MNKRJSJKVHUXIG-UHFFFAOYSA-N	O=C(Nc1ccccc1)N1CCOCC1	2	123517 (0.0%)	728 (0.0%)	123489 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
AZTGEJBZSFKULT-UHFFFAOYSA-N	O=C(Nc1ccccc1)C1CCCCC1	2	121028 (0.0%)	3138 (0.0%)	120959 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
WPETWIRCSJXPAN-UHFFFAOYSA-N	O=C(NCc1ccccc1)C1CC1	2	119019 (0.0%)	0 (0.0%)	118936 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
YRJGYGPIEHIQPP-UHFFFAOYSA-N	O=S(=O)(NC1CCCCC1)c1ccccc1	2	118431 (0.0%)	2473 (0.0%)	118394 (0.0%)	4 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
RWEUWCXPDZJTGC-UHFFFAOYSA-N	O=C(Nc1ccccc1)C1CC1c1ccccc1	3	117200 (0.0%)	0 (0.0%)	117150 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
YQAZHBNCKYLNSY-UHFFFAOYSA-N	O=C(NCc1ccccc1)C(=O)N1CCCCC1	2	115046 (0.0%)	6 (0.0%)	115046 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
NYQXIOZBHWFCBU-UHFFFAOYSA-N	O=C(Nc1ccccc1)c1cccnc1	2	113972 (0.0%)	5621 (0.0%)	113898 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
IDSYMLVDOBTGOP-UHFFFAOYSA-N	O=C(Nc1ccccc1)C(=O)N1CCOCC1	2	113336 (0.0%)	15 (0.0%)	113336 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
GWEHVDNNLFDJLR-UHFFFAOYSA-N	O=C(Nc1ccccc1)Nc1ccccc1	2	112960 (0.0%)	1587 (0.0%)	112606 (0.0%)	0 (0.0%)	1 (0.0%)	3 (0.0%)	0 (0.0%)
JYGFTBXVXVMTGB-UHFFFAOYSA-N	O=C1Cc2ccccc2N1	2	112624 (0.0%)	11011 (0.0%)	112442 (0.0%)	2 (0.0%)	16 (0.0%)	16 (0.0%)	3 (0.1%)
ZEXRPDVUJZOTHK-UHFFFAOYSA-N	O=C(CNc1ccccc1)NCc1ccccc1	2	112375 (0.0%)	1183 (0.0%)	112369 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
PPVZYCGBQWWSKG-UHFFFAOYSA-N	c1ccc(CNC2CCCC2)cc1	2	112337 (0.0%)	23801 (0.1%)	112303 (0.0%)	9 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
XHPVOSNOIWGRQQ-UHFFFAOYSA-N	c1ccc(N2CCOCC2)nc1	2	111764 (0.0%)	0 (0.0%)	111755 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
OOAFBZIRZNUNQV-UHFFFAOYSA-N	O=C(NCc1ccccc1)NC1CCCCC1	2	110402 (0.0%)	143 (0.0%)	110401 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
IAHIMTVWPDQJOM-UHFFFAOYSA-N	c1ccc(NC2CCOC2)cc1	2	108462 (0.0%)	0 (0.0%)	108461 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)	0 (0.0%)
AHHIZGRCBJEBIX-UHFFFAOYSA-N	c1ccc(CC2CCCCC2)cc1	2	107897 (0.0%)	36589 (0.1%)	107529 (0.0%)	14 (0.0%)	2 (0.0%)	15 (0.0%)	12 (0.3%)